N-[4-[[1-(aminomethyl)cyclopentyl]amino]-4-oxobutan-2-yl]cyclohexanecarboxamide

C17H31N3O2 — CID 119565580

IUPACN-[4-[[1-(aminomethyl)cyclopentyl]amino]-4-oxobutan-2-yl]cyclohexanecarboxamide
SMILESCC(CC(=O)NC1(CN)CCCC1)NC(=O)C1CCCCC1
InChIInChI=1S/C17H31N3O2/c1-13(19-16(22)14-7-3-2-4-8-14)11-15(21)20-17(12-18)9-5-6-10-17/h13-14H,2-12,18H2,1H3,(H,19,22)(H,20,21)
InChIKeySFQQQTMEHFLRNF-UHFFFAOYSA-N
MW309.45 g/mol
LogP1.85
Rot. Bonds6

About N-[4-[[1-(aminomethyl)cyclopentyl]amino]-4-oxobutan-2-yl]cyclohexanecarboxamide

N-[4-[[1-(aminomethyl)cyclopentyl]amino]-4-oxobutan-2-yl]cyclohexanecarboxamide (PubChem CID 119565580) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is N-[4-[[1-(aminomethyl)cyclopentyl]amino]-4-oxobutan-2-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[4-[[1-(aminomethyl)cyclopentyl]amino]-4-oxobutan-2-yl]cyclohexanecarboxamide
PubChem CID119565580
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC NameN-[4-[[1-(aminomethyl)cyclopentyl]amino]-4-oxobutan-2-yl]cyclohexanecarboxamide
SMILESCC(CC(=O)NC1(CN)CCCC1)NC(=O)C1CCCCC1
InChIInChI=1S/C17H31N3O2/c1-13(19-16(22)14-7-3-2-4-8-14)11-15(21)20-17(12-18)9-5-6-10-17/h13-14H,2-12,18H2,1H3,(H,19,22)(H,20,21)
InChIKeySFQQQTMEHFLRNF-UHFFFAOYSA-N
XLogP1.85
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[4-[[1-(aminomethyl)cyclopentyl]amino]-4-oxobutan-2-yl]cyclohexanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[[1-(aminomethyl)cyclopentyl]amino]-4-oxobutan-2-yl]cyclopentanecarboxamide
CID 119567956
N-[4-[(1-hydroxycycloheptyl)methylamino]-4-oxobutan-2-yl]cyclopentanecarboxamide
CID 111428746
(3R)-3-(cyclohexanecarbonylamino)butanoic acid
CID 51885508
N-[4-[(2-amino-1-cyclohexylethyl)amino]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride
CID 119589615
methyl (3S)-3-[[(3R)-3-(cyclopentanecarbonylamino)butanoyl]amino]butanoate
CID 95609074
(2R)-2-[3-(cyclopentanecarbonylamino)butanoylamino]propanoic acid
CID 119244671
N-[4-[2-(methylamino)ethylamino]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride
CID 119500807
N-[4-[2-(methylamino)propylamino]-4-oxobutan-2-yl]cyclohexanecarboxamide
CID 120831062
N-[1-(aminomethyl)cyclopentyl]-3-methylhexanamide
CID 119566665
N-[4-[[2-(aminomethyl)cyclopentyl]amino]-4-oxobutan-2-yl]cyclopentanecarboxamide
CID 119604609
N-butan-2-ylcyclooctanecarboxamide
CID 65022908
N-[1-(aminomethyl)-4-methylcyclohexyl]cyclopentanecarboxamide
CID 55241583

Frequently Asked Questions

What is the IUPAC name of N-[4-[[1-(aminomethyl)cyclopentyl]amino]-4-oxobutan-2-yl]cyclohexanecarboxamide?
The IUPAC name of N-[4-[[1-(aminomethyl)cyclopentyl]amino]-4-oxobutan-2-yl]cyclohexanecarboxamide (CID 119565580) is N-[4-[[1-(aminomethyl)cyclopentyl]amino]-4-oxobutan-2-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[4-[[1-(aminomethyl)cyclopentyl]amino]-4-oxobutan-2-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[4-[[1-(aminomethyl)cyclopentyl]amino]-4-oxobutan-2-yl]cyclohexanecarboxamide is CC(CC(=O)NC1(CN)CCCC1)NC(=O)C1CCCCC1.
What is the InChIKey of N-[4-[[1-(aminomethyl)cyclopentyl]amino]-4-oxobutan-2-yl]cyclohexanecarboxamide?
The InChIKey is SFQQQTMEHFLRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2/c1-13(19-16(22)14-7-3-2-4-8-14)11-15(21)20-17(12-18)9-5-6-10-17/h13-14H,2-12,18H2,1H3,(H,19,22)(H,20,21).
What are the key properties of N-[4-[[1-(aminomethyl)cyclopentyl]amino]-4-oxobutan-2-yl]cyclohexanecarboxamide?
N-[4-[[1-(aminomethyl)cyclopentyl]amino]-4-oxobutan-2-yl]cyclohexanecarboxamide has a molecular weight of 309.45 g/mol, XLogP of 1.85, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[1-(aminomethyl)cyclopentyl]amino]-4-oxobutan-2-yl]cyclohexanecarboxamide is sourced from PubChem (CID 119565580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).