N-[1-(aminomethyl)cyclooctyl]azepane-1-carboxamide

C16H31N3O — CID 79151741

IUPACN-[1-(aminomethyl)cyclooctyl]azepane-1-carboxamide
SMILESNCC1(NC(=O)N2CCCCCC2)CCCCCCC1
InChIInChI=1S/C16H31N3O/c17-14-16(10-6-2-1-3-7-11-16)18-15(20)19-12-8-4-5-9-13-19/h1-14,17H2,(H,18,20)
InChIKeyPJWWOXMABHOXON-UHFFFAOYSA-N
MW281.44 g/mol
LogP3.01
Rot. Bonds2

About N-[1-(aminomethyl)cyclooctyl]azepane-1-carboxamide

N-[1-(aminomethyl)cyclooctyl]azepane-1-carboxamide (PubChem CID 79151741) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclooctyl]azepane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclooctyl]azepane-1-carboxamide
PubChem CID79151741
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC NameN-[1-(aminomethyl)cyclooctyl]azepane-1-carboxamide
SMILESNCC1(NC(=O)N2CCCCCC2)CCCCCCC1
InChIInChI=1S/C16H31N3O/c17-14-16(10-6-2-1-3-7-11-16)18-15(20)19-12-8-4-5-9-13-19/h1-14,17H2,(H,18,20)
InChIKeyPJWWOXMABHOXON-UHFFFAOYSA-N
XLogP3.01
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(piperidine-1-carbonylamino)cyclopentyl]acetic acid
CID 64702189
N-[1-(aminomethyl)cyclopentyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 119567885
1-acetyl-N-[1-(aminomethyl)cyclopentyl]piperidine-3-carboxamide
CID 119565447
N-[1-(aminomethyl)cycloheptyl]prop-2-ynamide
CID 82505299
methyl N-[1-(aminomethyl)cyclohexyl]carbamate
CID 63765596
N-(1-carbamothioylcyclohexyl)pyrrolidine-1-carboxamide
CID 79161728
2-[1-[(4-aminopiperidine-1-carbonyl)amino]cyclopentyl]acetic acid
CID 64701838
N-[1-(N'-hydroxycarbamimidoyl)cyclohexyl]azepane-1-carboxamide
CID 79152834
N-(1-cyanocyclooctyl)azepane-1-carboxamide
CID 79152545
N-(1-carbamimidoylcyclopentyl)azepane-1-carboxamide
CID 79151863
[1-(aminomethyl)cyclopentyl]-(azepan-1-yl)methanone;hydrochloride
CID 119669538
3-[1-(aminomethyl)cyclopentyl]-1,1-dimethylurea
CID 79154067

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclooctyl]azepane-1-carboxamide?
The IUPAC name of N-[1-(aminomethyl)cyclooctyl]azepane-1-carboxamide (CID 79151741) is N-[1-(aminomethyl)cyclooctyl]azepane-1-carboxamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclooctyl]azepane-1-carboxamide?
The canonical SMILES for N-[1-(aminomethyl)cyclooctyl]azepane-1-carboxamide is NCC1(NC(=O)N2CCCCCC2)CCCCCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclooctyl]azepane-1-carboxamide?
The InChIKey is PJWWOXMABHOXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c17-14-16(10-6-2-1-3-7-11-16)18-15(20)19-12-8-4-5-9-13-19/h1-14,17H2,(H,18,20).
What are the key properties of N-[1-(aminomethyl)cyclooctyl]azepane-1-carboxamide?
N-[1-(aminomethyl)cyclooctyl]azepane-1-carboxamide has a molecular weight of 281.44 g/mol, XLogP of 3.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclooctyl]azepane-1-carboxamide is sourced from PubChem (CID 79151741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).