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Chemical ID: 6046468
Chemical ID:
6046468
Name [?]:
N-methyl-N-[1-(3-pyridyl)propyl]formamide
SMILES [?]:
CCC(c1cccnc1)N(C)C=O
InChi [?]:
InChI=1/C10H14N2O/c1-3-10(12(2)8-13)9-5-4-6-11-7-9/h4-8,10H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,11,2,6,5,7,9,12,4,3,8,10,13/rA:13cCCCCCCCNCNCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s3;s10;s10;d12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H14N2O |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 5.96495 |
Area: | 355.331 |
Solvation: | -2.91832 |
Coulombic: | -19.6287 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 178.231 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 0.96 |
LogP (Chemaxon): | 0.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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