3-[cyclohexyl(methyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carboxamide

C17H33N3O — CID 79626764

IUPAC3-[cyclohexyl(methyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carboxamide
SMILESCC(C)NC1(C(N)=O)CCCC(N(C)C2CCCCC2)C1
InChIInChI=1S/C17H33N3O/c1-13(2)19-17(16(18)21)11-7-10-15(12-17)20(3)14-8-5-4-6-9-14/h13-15,19H,4-12H2,1-3H3,(H2,18,21)
InChIKeyMHHDEVFGVRIOKO-UHFFFAOYSA-N
MW295.47 g/mol
LogP2.42
Rot. Bonds5

About 3-[cyclohexyl(methyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carboxamide

3-[cyclohexyl(methyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carboxamide (PubChem CID 79626764) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is 3-[cyclohexyl(methyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-[cyclohexyl(methyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carboxamide
PubChem CID79626764
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name3-[cyclohexyl(methyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carboxamide
SMILESCC(C)NC1(C(N)=O)CCCC(N(C)C2CCCCC2)C1
InChIInChI=1S/C17H33N3O/c1-13(2)19-17(16(18)21)11-7-10-15(12-17)20(3)14-8-5-4-6-9-14/h13-15,19H,4-12H2,1-3H3,(H2,18,21)
InChIKeyMHHDEVFGVRIOKO-UHFFFAOYSA-N
XLogP2.42
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 ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[methyl(oxan-4-yl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79655558
3-[methyl-(3-methylcyclohexyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79646644
3-[methyl(pentan-3-yl)amino]-1-(propan-2-ylamino)cyclohexane-1-carboxamide
CID 79636769
ethyl 3-[cyclopropyl(methyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carboxylate
CID 79636368
3-[methyl(propan-2-yl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79650663
1-(methylamino)-3-[methyl-(1-methylpiperidin-4-yl)amino]cyclohexane-1-carboxamide
CID 79636895
3-[ethyl(methyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79654805
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
methyl 3-(dimethylamino)-1-(propan-2-ylamino)cyclohexane-1-carboxylate
CID 79637045
3-[methyl(oxan-4-yl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 79654981
3-[2-(dimethylamino)ethyl-propylamino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79647875

Frequently Asked Questions

What is the IUPAC name of 3-[cyclohexyl(methyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carboxamide?
The IUPAC name of 3-[cyclohexyl(methyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carboxamide (CID 79626764) is 3-[cyclohexyl(methyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-[cyclohexyl(methyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carboxamide?
The canonical SMILES for 3-[cyclohexyl(methyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carboxamide is CC(C)NC1(C(N)=O)CCCC(N(C)C2CCCCC2)C1.
What is the InChIKey of 3-[cyclohexyl(methyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carboxamide?
The InChIKey is MHHDEVFGVRIOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-13(2)19-17(16(18)21)11-7-10-15(12-17)20(3)14-8-5-4-6-9-14/h13-15,19H,4-12H2,1-3H3,(H2,18,21).
What are the key properties of 3-[cyclohexyl(methyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carboxamide?
3-[cyclohexyl(methyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carboxamide has a molecular weight of 295.47 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclohexyl(methyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 79626764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).