cis-(1S,3R)-3-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]cyclohexane-1-carboxamide

C15H28N2O — CID 129374130

IUPACcis-(1S,3R)-3-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]cyclohexane-1-carboxamide
SMILESC[C@@H]1[C@H](C)CCC[C@@H]1N[C@@H]1CCC[C@H](C(N)=O)C1
InChIInChI=1S/C15H28N2O/c1-10-5-3-8-14(11(10)2)17-13-7-4-6-12(9-13)15(16)18/h10-14,17H,3-9H2,1-2H3,(H2,16,18)/t10-,11-,12+,13-,14+/m1/s1
InChIKeyJTXJPKBMZGEHKF-RGDJUOJXSA-N
MW252.40 g/mol
LogP2.44
Rot. Bonds3

About cis-(1S,3R)-3-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]cyclohexane-1-carboxamide

cis-(1S,3R)-3-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]cyclohexane-1-carboxamide (PubChem CID 129374130) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is cis-(1S,3R)-3-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,3R)-3-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]cyclohexane-1-carboxamide
PubChem CID129374130
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Namecis-(1S,3R)-3-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]cyclohexane-1-carboxamide
SMILESC[C@@H]1[C@H](C)CCC[C@@H]1N[C@@H]1CCC[C@H](C(N)=O)C1
InChIInChI=1S/C15H28N2O/c1-10-5-3-8-14(11(10)2)17-13-7-4-6-12(9-13)15(16)18/h10-14,17H,3-9H2,1-2H3,(H2,16,18)/t10-,11-,12+,13-,14+/m1/s1
InChIKeyJTXJPKBMZGEHKF-RGDJUOJXSA-N
XLogP2.44
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze cis-(1S,3R)-3-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]cyclohexane-1-carboxamide with MolForge

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Related Compounds

3-[(2,3-dimethylcyclohexyl)amino]cyclohexane-1-carboxamide
CID 86786408
4-[(2,3-dimethylcyclohexyl)amino]cyclohexane-1-carboxamide
CID 64761066
N-(3-cyclopropylcyclohexyl)-2,3-dimethylcyclohexan-1-amine
CID 64593666
2-[(2,3-dimethylcyclohexyl)amino]cyclobutane-1-carboxylic acid
CID 103234715
N-(3-methoxycyclopentyl)-2,3-dimethylcyclohexan-1-amine
CID 103082803
N-(2,3-dimethylcyclopentyl)-2,3-dimethylcyclohexan-1-amine
CID 64909530
[(1S,3S)-3-carbamoylcyclohexyl]carbamic acid
CID 68629698
N-(2,3-dimethylcyclohexyl)thian-4-amine
CID 43394865
(3R)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]thian-3-amine
CID 94885711
N-(2,3-dimethylcyclohexyl)-4,4-dimethylcycloheptan-1-amine
CID 65082404
tert-butyl N-(3-carbamoylcyclohexyl)carbamate
CID 67324654
tert-butyl N-[(1R,3S)-3-carbamoylcyclohexyl]carbamate
CID 71279992

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]cyclohexane-1-carboxamide?
The IUPAC name of cis-(1S,3R)-3-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]cyclohexane-1-carboxamide (CID 129374130) is cis-(1S,3R)-3-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]cyclohexane-1-carboxamide.
What is the SMILES notation for cis-(1S,3R)-3-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]cyclohexane-1-carboxamide?
The canonical SMILES for cis-(1S,3R)-3-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]cyclohexane-1-carboxamide is C[C@@H]1[C@H](C)CCC[C@@H]1N[C@@H]1CCC[C@H](C(N)=O)C1.
What is the InChIKey of cis-(1S,3R)-3-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]cyclohexane-1-carboxamide?
The InChIKey is JTXJPKBMZGEHKF-RGDJUOJXSA-N. The full InChI is InChI=1S/C15H28N2O/c1-10-5-3-8-14(11(10)2)17-13-7-4-6-12(9-13)15(16)18/h10-14,17H,3-9H2,1-2H3,(H2,16,18)/t10-,11-,12+,13-,14+/m1/s1.
What are the key properties of cis-(1S,3R)-3-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]cyclohexane-1-carboxamide?
cis-(1S,3R)-3-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]cyclohexane-1-carboxamide has a molecular weight of 252.40 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 129374130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).