cis-(1R,2S)-2-[[(1S,2R)-2-methylcyclohexyl]amino]cyclohexan-1-ol

C13H25NO — CID 124710519

IUPACcis-(1R,2S)-2-[[(1S,2R)-2-methylcyclohexyl]amino]cyclohexan-1-ol
SMILESC[C@@H]1CCCC[C@@H]1N[C@H]1CCCC[C@H]1O
InChIInChI=1S/C13H25NO/c1-10-6-2-3-7-11(10)14-12-8-4-5-9-13(12)15/h10-15H,2-9H2,1H3/t10-,11+,12+,13-/m1/s1
InChIKeyWPWNYIQXBGKSKO-MROQNXINSA-N
MW211.35 g/mol
LogP2.46
Rot. Bonds2

About cis-(1R,2S)-2-[[(1S,2R)-2-methylcyclohexyl]amino]cyclohexan-1-ol

cis-(1R,2S)-2-[[(1S,2R)-2-methylcyclohexyl]amino]cyclohexan-1-ol (PubChem CID 124710519) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is cis-(1R,2S)-2-[[(1S,2R)-2-methylcyclohexyl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1R,2S)-2-[[(1S,2R)-2-methylcyclohexyl]amino]cyclohexan-1-ol
PubChem CID124710519
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Namecis-(1R,2S)-2-[[(1S,2R)-2-methylcyclohexyl]amino]cyclohexan-1-ol
SMILESC[C@@H]1CCCC[C@@H]1N[C@H]1CCCC[C@H]1O
InChIInChI=1S/C13H25NO/c1-10-6-2-3-7-11(10)14-12-8-4-5-9-13(12)15/h10-15H,2-9H2,1H3/t10-,11+,12+,13-/m1/s1
InChIKeyWPWNYIQXBGKSKO-MROQNXINSA-N
XLogP2.46
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze cis-(1R,2S)-2-[[(1S,2R)-2-methylcyclohexyl]amino]cyclohexan-1-ol with MolForge

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Related Compounds

cis-(1S,2R)-2-[[(1R,2S)-2-methylcyclopentyl]amino]cyclohexan-1-ol
CID 95377487
2-[[(1S,2S)-2-hydroxycyclohexyl]amino]cycloheptan-1-ol
CID 102731599
cis-(1S,2R)-2-methyl-N-[(1S,2R)-2-methylcyclopentyl]cyclohexan-1-amine
CID 124708997
(3R,4S)-4-[[(1R,2R)-2-methylcyclohexyl]amino]-1,1-dioxothiolan-3-ol
CID 11889636
2-methyl-N-(2-methylcyclohexyl)thian-3-amine
CID 79956809
2-[(1,3-dimethylpiperidin-4-yl)amino]cyclopentan-1-ol
CID 115891311
cis-(1R,2S)-N-cyclopropyl-2-methylcyclohexan-1-amine
CID 30048017
cis-(1S,2R)-2-(cyclobutylamino)cyclohexan-1-ol
CID 94414916
trans-(1R,2R)-2-(cyclopentylamino)cycloheptan-1-ol
CID 93383696
trans-(1S,2S)-2-[[(1S,3R)-3-methylcyclopentyl]amino]cyclohexan-1-ol
CID 124677465
2-(cycloheptylamino)cyclopentan-1-ol
CID 60713716
cis-(1S,2R)-2-[[(1S,3S)-3-methylcyclohexyl]amino]cyclohexan-1-ol
CID 93346213

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-[[(1S,2R)-2-methylcyclohexyl]amino]cyclohexan-1-ol?
The IUPAC name of cis-(1R,2S)-2-[[(1S,2R)-2-methylcyclohexyl]amino]cyclohexan-1-ol (CID 124710519) is cis-(1R,2S)-2-[[(1S,2R)-2-methylcyclohexyl]amino]cyclohexan-1-ol.
What is the SMILES notation for cis-(1R,2S)-2-[[(1S,2R)-2-methylcyclohexyl]amino]cyclohexan-1-ol?
The canonical SMILES for cis-(1R,2S)-2-[[(1S,2R)-2-methylcyclohexyl]amino]cyclohexan-1-ol is C[C@@H]1CCCC[C@@H]1N[C@H]1CCCC[C@H]1O.
What is the InChIKey of cis-(1R,2S)-2-[[(1S,2R)-2-methylcyclohexyl]amino]cyclohexan-1-ol?
The InChIKey is WPWNYIQXBGKSKO-MROQNXINSA-N. The full InChI is InChI=1S/C13H25NO/c1-10-6-2-3-7-11(10)14-12-8-4-5-9-13(12)15/h10-15H,2-9H2,1H3/t10-,11+,12+,13-/m1/s1.
What are the key properties of cis-(1R,2S)-2-[[(1S,2R)-2-methylcyclohexyl]amino]cyclohexan-1-ol?
cis-(1R,2S)-2-[[(1S,2R)-2-methylcyclohexyl]amino]cyclohexan-1-ol has a molecular weight of 211.35 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-[[(1S,2R)-2-methylcyclohexyl]amino]cyclohexan-1-ol is sourced from PubChem (CID 124710519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).