3-[methyl-(3-methylcyclohexyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide

C17H33N3O — CID 79646644

IUPAC3-[methyl-(3-methylcyclohexyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
SMILESCC1CCCC(N(C)C2CCC(NC(C)C)(C(N)=O)C2)C1
InChIInChI=1S/C17H33N3O/c1-12(2)19-17(16(18)21)9-8-15(11-17)20(4)14-7-5-6-13(3)10-14/h12-15,19H,5-11H2,1-4H3,(H2,18,21)
InChIKeyALPBJKCRIYIFKT-UHFFFAOYSA-N
MW295.47 g/mol
LogP2.27
Rot. Bonds5

About 3-[methyl-(3-methylcyclohexyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide

3-[methyl-(3-methylcyclohexyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide (PubChem CID 79646644) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is 3-[methyl-(3-methylcyclohexyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-[methyl-(3-methylcyclohexyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
PubChem CID79646644
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name3-[methyl-(3-methylcyclohexyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
SMILESCC1CCCC(N(C)C2CCC(NC(C)C)(C(N)=O)C2)C1
InChIInChI=1S/C17H33N3O/c1-12(2)19-17(16(18)21)9-8-15(11-17)20(4)14-7-5-6-13(3)10-14/h12-15,19H,5-11H2,1-4H3,(H2,18,21)
InChIKeyALPBJKCRIYIFKT-UHFFFAOYSA-N
XLogP2.27
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cyclohexyl(methyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carboxamide
CID 79626764
3-[methyl(oxan-4-yl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79655558
3-[methyl(propan-2-yl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79650663
3-[ethyl(methyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79654805
1-amino-3-[methyl-(3-methylcyclohexyl)amino]cyclohexane-1-carboxamide
CID 79641814
3-[methyl(propyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79650033
3-[methyl(3-methylbutyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79655524
3-[2-(dimethylamino)ethyl-propylamino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79647875
3-[methyl(pentan-3-yl)amino]-1-(propan-2-ylamino)cyclohexane-1-carboxamide
CID 79636769
3-(3,5-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79649924
3-[ethyl(2-ethylbutyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79646901
3-[methyl(oxan-4-yl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 79654981

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-(3-methylcyclohexyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide?
The IUPAC name of 3-[methyl-(3-methylcyclohexyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide (CID 79646644) is 3-[methyl-(3-methylcyclohexyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide.
What is the SMILES notation for 3-[methyl-(3-methylcyclohexyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide?
The canonical SMILES for 3-[methyl-(3-methylcyclohexyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide is CC1CCCC(N(C)C2CCC(NC(C)C)(C(N)=O)C2)C1.
What is the InChIKey of 3-[methyl-(3-methylcyclohexyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide?
The InChIKey is ALPBJKCRIYIFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-12(2)19-17(16(18)21)9-8-15(11-17)20(4)14-7-5-6-13(3)10-14/h12-15,19H,5-11H2,1-4H3,(H2,18,21).
What are the key properties of 3-[methyl-(3-methylcyclohexyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide?
3-[methyl-(3-methylcyclohexyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide has a molecular weight of 295.47 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-(3-methylcyclohexyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide is sourced from PubChem (CID 79646644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).