N-[[1-(aminomethyl)cyclohexyl]methyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide

C17H24N2O — CID 103970185

IUPACN-[[1-(aminomethyl)cyclohexyl]methyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
SMILESNCC1(CNC(=O)C2Cc3ccccc32)CCCCC1
InChIInChI=1S/C17H24N2O/c18-11-17(8-4-1-5-9-17)12-19-16(20)15-10-13-6-2-3-7-14(13)15/h2-3,6-7,15H,1,4-5,8-12,18H2,(H,19,20)
InChIKeyCFTAWLFOQSOYKS-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.35
Rot. Bonds4

About N-[[1-(aminomethyl)cyclohexyl]methyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide

N-[[1-(aminomethyl)cyclohexyl]methyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide (PubChem CID 103970185) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclohexyl]methyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclohexyl]methyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
PubChem CID103970185
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-[[1-(aminomethyl)cyclohexyl]methyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
SMILESNCC1(CNC(=O)C2Cc3ccccc32)CCCCC1
InChIInChI=1S/C17H24N2O/c18-11-17(8-4-1-5-9-17)12-19-16(20)15-10-13-6-2-3-7-14(13)15/h2-3,6-7,15H,1,4-5,8-12,18H2,(H,19,20)
InChIKeyCFTAWLFOQSOYKS-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[[1-(aminomethyl)cyclohexyl]methyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide with MolForge

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Related Compounds

N-[[1-(2-chloroethyl)cyclopropyl]methyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 114757939
N-[1-(aminomethyl)cyclopentyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 66395955
N-[[1-(aminomethyl)cyclopentyl]methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127832
N-(2-amino-2-sulfanylideneethyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 66394762
1-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonylamino)cycloheptane-1-carboxylic acid
CID 66396084
N-(3-amino-2-methylpropyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 66395688
N-[(1-hydroxycyclopentyl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65262406
N-(2-chloroethyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 66396131
N-(3-amino-3-sulfanylidenepropyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 66396706
N-[1-(N'-hydroxycarbamimidoyl)cyclohexyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 77136013
N-[[3-(aminomethyl)phenyl]methyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 66394329
N-(4-hydroxybutyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 106843816

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclohexyl]methyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
The IUPAC name of N-[[1-(aminomethyl)cyclohexyl]methyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide (CID 103970185) is N-[[1-(aminomethyl)cyclohexyl]methyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide.
What is the SMILES notation for N-[[1-(aminomethyl)cyclohexyl]methyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
The canonical SMILES for N-[[1-(aminomethyl)cyclohexyl]methyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide is NCC1(CNC(=O)C2Cc3ccccc32)CCCCC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclohexyl]methyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
The InChIKey is CFTAWLFOQSOYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c18-11-17(8-4-1-5-9-17)12-19-16(20)15-10-13-6-2-3-7-14(13)15/h2-3,6-7,15H,1,4-5,8-12,18H2,(H,19,20).
What are the key properties of N-[[1-(aminomethyl)cyclohexyl]methyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
N-[[1-(aminomethyl)cyclohexyl]methyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide has a molecular weight of 272.39 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclohexyl]methyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide is sourced from PubChem (CID 103970185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).