4-(aminomethyl)-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)cyclohexane-1-carboxamide

C17H24N2O — CID 79527550

IUPAC4-(aminomethyl)-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)cyclohexane-1-carboxamide
SMILESNCC1CCC(C(=O)NCC2Cc3ccccc32)CC1
InChIInChI=1S/C17H24N2O/c18-10-12-5-7-13(8-6-12)17(20)19-11-15-9-14-3-1-2-4-16(14)15/h1-4,12-13,15H,5-11,18H2,(H,19,20)
InChIKeyRTPQBZDHWFTHQE-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.21
Rot. Bonds4

About 4-(aminomethyl)-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)cyclohexane-1-carboxamide

4-(aminomethyl)-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)cyclohexane-1-carboxamide (PubChem CID 79527550) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)cyclohexane-1-carboxamide
PubChem CID79527550
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name4-(aminomethyl)-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)cyclohexane-1-carboxamide
SMILESNCC1CCC(C(=O)NCC2Cc3ccccc32)CC1
InChIInChI=1S/C17H24N2O/c18-10-12-5-7-13(8-6-12)17(20)19-11-15-9-14-3-1-2-4-16(14)15/h1-4,12-13,15H,5-11,18H2,(H,19,20)
InChIKeyRTPQBZDHWFTHQE-UHFFFAOYSA-N
XLogP2.21
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(aminomethyl)-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)cyclohexane-1-carboxamide with MolForge

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Related Compounds

3-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 66408469
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-[4-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-2-oxoethyl]phenyl]acetamide
CID 166214928
(1S,6R)-6-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 104962060
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,2,2-trifluoroacetamide
CID 62726730
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-oxobutanamide
CID 60815550
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-methylpropanamide
CID 60810919
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidine-1-carboxamide
CID 113225865
2-hydroxyethyl N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)carbamate
CID 79348790
1-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)cyclobutane-1-carboxamide
CID 81179569
1-(aminomethyl)-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-methylcyclohexane-1-carboxamide
CID 115441643
4-(aminomethyl)-N-[2-(cyclopropanecarbonylamino)ethyl]cyclohexane-1-carboxamide
CID 104963779
4-(aminomethyl)-N-[(2-methylphenyl)methyl]cyclohexane-1-carboxamide
CID 79526884

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)cyclohexane-1-carboxamide (CID 79527550) is 4-(aminomethyl)-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)cyclohexane-1-carboxamide is NCC1CCC(C(=O)NCC2Cc3ccccc32)CC1.
What is the InChIKey of 4-(aminomethyl)-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)cyclohexane-1-carboxamide?
The InChIKey is RTPQBZDHWFTHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c18-10-12-5-7-13(8-6-12)17(20)19-11-15-9-14-3-1-2-4-16(14)15/h1-4,12-13,15H,5-11,18H2,(H,19,20).
What are the key properties of 4-(aminomethyl)-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)cyclohexane-1-carboxamide?
4-(aminomethyl)-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)cyclohexane-1-carboxamide has a molecular weight of 272.39 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 79527550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).