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Chemical ID: 6154216
Chemical ID:
6154216
Name [?]:
N-(cyclopropylmethyl)-1-tetrahydrofuran-2-yl-methanamine
SMILES [?]:
C1CC(OC1)CNCC2CC2
InChi [?]:
InChI=1/C9H17NO/c1-2-9(11-5-1)7-10-6-8-3-4-8/h8-10H,1-7H2
InChi Info:
AuxInfo=1/0/N:1,2,10,11,5,8,6,9,3,7,4/E:(3,4)/rA:11cCCCOCCNCCCC/rB:s1;s2;s3;s1s4;s3;s6;s7;s8;s9;s9s10;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H17NO |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.49132 |
Area: | 345.348 |
Solvation: | -2.14237 |
Coulombic: | -17.015 |
Bond Count [?]
All: | 12 |
Single: | 12 |
Double: | 0 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 155.237 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 0.92 |
LogP (Chemaxon): | 0.74 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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