1-amino-3-[methyl-(3-methylcyclohexyl)amino]cyclohexane-1-carboxamide

C15H29N3O — CID 79641814

IUPAC1-amino-3-[methyl-(3-methylcyclohexyl)amino]cyclohexane-1-carboxamide
SMILESCC1CCCC(N(C)C2CCCC(N)(C(N)=O)C2)C1
InChIInChI=1S/C15H29N3O/c1-11-5-3-6-12(9-11)18(2)13-7-4-8-15(17,10-13)14(16)19/h11-13H,3-10,17H2,1-2H3,(H2,16,19)
InChIKeyUGZHUSGUFFUQQM-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.62
Rot. Bonds3

About 1-amino-3-[methyl-(3-methylcyclohexyl)amino]cyclohexane-1-carboxamide

1-amino-3-[methyl-(3-methylcyclohexyl)amino]cyclohexane-1-carboxamide (PubChem CID 79641814) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 1-amino-3-[methyl-(3-methylcyclohexyl)amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-3-[methyl-(3-methylcyclohexyl)amino]cyclohexane-1-carboxamide
PubChem CID79641814
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name1-amino-3-[methyl-(3-methylcyclohexyl)amino]cyclohexane-1-carboxamide
SMILESCC1CCCC(N(C)C2CCCC(N)(C(N)=O)C2)C1
InChIInChI=1S/C15H29N3O/c1-11-5-3-6-12(9-11)18(2)13-7-4-8-15(17,10-13)14(16)19/h11-13H,3-10,17H2,1-2H3,(H2,16,19)
InChIKeyUGZHUSGUFFUQQM-UHFFFAOYSA-N
XLogP1.62
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,3S)-1-amino-3-methylcyclohexane-1-carboxamide
CID 93311266
3-[methyl-(3-methylcyclohexyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79646644
1-amino-3-(3-methylcyclohexyl)oxycyclohexane-1-carboxamide
CID 79638218
1-amino-3-[butan-2-yl(methyl)amino]cyclohexane-1-carboxamide
CID 79636285
1-amino-3-[butyl(methyl)amino]cyclohexane-1-carboxamide
CID 79636493
1-amino-3-[2-methylpropyl(propan-2-yl)amino]cyclohexane-1-carboxamide
CID 79641958
1-amino-3-[butan-2-yl(ethyl)amino]cyclohexane-1-carboxamide
CID 79635988
1-amino-3-[bis(3-methylbutyl)amino]cyclohexane-1-carboxamide
CID 107870991
1-amino-3-(dimethylamino)cyclohexane-1-carboxylic acid
CID 79636513
(1-amino-3-methylcyclohexyl)-(3-methylcyclohexyl)methanone
CID 116579260
1-amino-3-[cyclohexyl(methyl)amino]cyclopentane-1-carboxylic acid
CID 79650265
1-amino-3-[bis(2-ethoxyethyl)amino]cyclohexane-1-carboxamide
CID 82940436

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[methyl-(3-methylcyclohexyl)amino]cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-3-[methyl-(3-methylcyclohexyl)amino]cyclohexane-1-carboxamide (CID 79641814) is 1-amino-3-[methyl-(3-methylcyclohexyl)amino]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-3-[methyl-(3-methylcyclohexyl)amino]cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-3-[methyl-(3-methylcyclohexyl)amino]cyclohexane-1-carboxamide is CC1CCCC(N(C)C2CCCC(N)(C(N)=O)C2)C1.
What is the InChIKey of 1-amino-3-[methyl-(3-methylcyclohexyl)amino]cyclohexane-1-carboxamide?
The InChIKey is UGZHUSGUFFUQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-11-5-3-6-12(9-11)18(2)13-7-4-8-15(17,10-13)14(16)19/h11-13H,3-10,17H2,1-2H3,(H2,16,19).
What are the key properties of 1-amino-3-[methyl-(3-methylcyclohexyl)amino]cyclohexane-1-carboxamide?
1-amino-3-[methyl-(3-methylcyclohexyl)amino]cyclohexane-1-carboxamide has a molecular weight of 267.42 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[methyl-(3-methylcyclohexyl)amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 79641814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).