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Chemical ID: 4122153
Chemical ID:
4122153
Name [?]:
3-morpholino-N-(3-pyridylmethyl)propan-1-amine
SMILES [?]:
c1cc(cnc1)CNCCCN2CCOCC2
InChi [?]:
InChI=1/C13H21N3O/c1-3-13(11-14-4-1)12-15-5-2-6-16-7-9-17-10-8-16/h1,3-4,11,15H,2,5-10,12H2
InChi Info:
AuxInfo=1/0/N:1,10,2,6,9,11,13,17,14,16,4,7,3,5,8,12,15/E:(7,8)(9,10)/rA:17nCCCCNCCNCCCNCCOCC/rB:s1;d2;s3;d4;d1s5;s3;s7;s8;s9;s10;s11;s12;s13;s14;s15;s12s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H21N3O |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.72095 |
Area: | 453.652 |
Solvation: | -3.62035 |
Coulombic: | -26.0771 |
Bond Count [?]
All: | 18 |
Single: | 15 |
Double: | 3 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 235.325 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 0.09 |
LogP (Chemaxon): | -0.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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