3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]cyclopentane-1-carboxamide

C16H31N3O — CID 66009397

IUPAC3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]cyclopentane-1-carboxamide
SMILESCN(CCCNC(=O)C1CCC(N)C1)C1CCCCC1
InChIInChI=1S/C16H31N3O/c1-19(15-6-3-2-4-7-15)11-5-10-18-16(20)13-8-9-14(17)12-13/h13-15H,2-12,17H2,1H3,(H,18,20)
InChIKeyXWFDUTVCLFLERM-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.88
Rot. Bonds6

About 3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]cyclopentane-1-carboxamide

3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]cyclopentane-1-carboxamide (PubChem CID 66009397) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]cyclopentane-1-carboxamide
PubChem CID66009397
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]cyclopentane-1-carboxamide
SMILESCN(CCCNC(=O)C1CCC(N)C1)C1CCCCC1
InChIInChI=1S/C16H31N3O/c1-19(15-6-3-2-4-7-15)11-5-10-18-16(20)13-8-9-14(17)12-13/h13-15H,2-12,17H2,1H3,(H,18,20)
InChIKeyXWFDUTVCLFLERM-UHFFFAOYSA-N
XLogP1.88
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[cyclohexyl(methyl)amino]propyl]piperidine-4-carboxamide
CID 60981241
2-[3-[cyclohexyl(methyl)amino]propylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60980682
N-[3-[cyclohexyl(methyl)amino]propyl]piperidine-3-carboxamide
CID 60981375
3-amino-N-[3-(dipropylamino)propyl]cyclohexane-1-carboxamide
CID 119861214
3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]-2-methylbutanamide;dihydrochloride
CID 120503009
3-amino-N-[3-(dipropylamino)propyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119861213
2-amino-N-[3-[cyclohexyl(methyl)amino]propyl]propanamide
CID 54880376
3-amino-N-butylcyclohexane-1-carboxamide
CID 62778073
3-amino-N-(2-cyclopentylethyl)cyclopentane-1-carboxamide
CID 66010406
N-(3-acetamidopropyl)-3-aminocyclohexane-1-carboxamide
CID 119725928
3-[3-[cyclohexyl(methyl)amino]propylamino]-3-oxopropanoic acid
CID 62230930
6-[(3-aminocyclopentanecarbonyl)amino]hexanoic acid
CID 66010231

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]cyclopentane-1-carboxamide (CID 66009397) is 3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]cyclopentane-1-carboxamide is CN(CCCNC(=O)C1CCC(N)C1)C1CCCCC1.
What is the InChIKey of 3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]cyclopentane-1-carboxamide?
The InChIKey is XWFDUTVCLFLERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-19(15-6-3-2-4-7-15)11-5-10-18-16(20)13-8-9-14(17)12-13/h13-15H,2-12,17H2,1H3,(H,18,20).
What are the key properties of 3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]cyclopentane-1-carboxamide?
3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]cyclopentane-1-carboxamide has a molecular weight of 281.44 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 66009397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).