cis-(1S,2R)-2-[[(1S,3S)-3-methylcyclohexyl]amino]cyclohexan-1-ol

C13H25NO — CID 93346213

IUPACcis-(1S,2R)-2-[[(1S,3S)-3-methylcyclohexyl]amino]cyclohexan-1-ol
SMILESC[C@H]1CCC[C@H](N[C@@H]2CCCC[C@@H]2O)C1
InChIInChI=1S/C13H25NO/c1-10-5-4-6-11(9-10)14-12-7-2-3-8-13(12)15/h10-15H,2-9H2,1H3/t10-,11-,12+,13-/m0/s1
InChIKeyFWLYDNZTZDRXHT-RVMXOQNASA-N
MW211.35 g/mol
LogP2.46
Rot. Bonds2

About cis-(1S,2R)-2-[[(1S,3S)-3-methylcyclohexyl]amino]cyclohexan-1-ol

cis-(1S,2R)-2-[[(1S,3S)-3-methylcyclohexyl]amino]cyclohexan-1-ol (PubChem CID 93346213) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is cis-(1S,2R)-2-[[(1S,3S)-3-methylcyclohexyl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1S,2R)-2-[[(1S,3S)-3-methylcyclohexyl]amino]cyclohexan-1-ol
PubChem CID93346213
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Namecis-(1S,2R)-2-[[(1S,3S)-3-methylcyclohexyl]amino]cyclohexan-1-ol
SMILESC[C@H]1CCC[C@H](N[C@@H]2CCCC[C@@H]2O)C1
InChIInChI=1S/C13H25NO/c1-10-5-4-6-11(9-10)14-12-7-2-3-8-13(12)15/h10-15H,2-9H2,1H3/t10-,11-,12+,13-/m0/s1
InChIKeyFWLYDNZTZDRXHT-RVMXOQNASA-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-(1S,2R)-2-[[(1S,3S)-3-methylcyclohexyl]amino]cyclohexan-1-ol with MolForge

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Related Compounds

trans-(1S,2S)-2-[[(1S,3R)-3-methylcyclopentyl]amino]cyclohexan-1-ol
CID 124677465
trans-(1R,2R)-2-[(3,5-dimethylcyclohexyl)amino]cyclopentan-1-ol
CID 102733566
2-[(3,5-dimethylcyclohexyl)amino]cyclopentan-1-ol
CID 64733650
cis-(1S,2R)-2-(cyclobutylamino)cyclohexan-1-ol
CID 94414916
2-(cycloheptylamino)cyclopentan-1-ol
CID 60713716
4-[(3-methylcyclohexyl)amino]oxolan-3-ol
CID 60900459
1-(2-hydroxycyclohexyl)-3-(3-methylcyclohexyl)urea
CID 110933307
trans-(1R,2R)-2-[(3,4-dimethylcyclohexyl)amino]cyclopentan-1-ol
CID 102733568
trans-(1R,2R)-2-(cyclopentylamino)cycloheptan-1-ol
CID 93383696
trans-(1R,3R)-3-methyl-N-[(1S,3S)-3-methylcyclohexyl]cyclohexan-1-amine
CID 99646097
2-cyclohexyl-N-(3-methylcyclohexyl)cyclohexan-1-amine
CID 43432566
trans-(1R,2R)-2-(cyclopropylamino)cyclopentan-1-ol
CID 92555045

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[[(1S,3S)-3-methylcyclohexyl]amino]cyclohexan-1-ol?
The IUPAC name of cis-(1S,2R)-2-[[(1S,3S)-3-methylcyclohexyl]amino]cyclohexan-1-ol (CID 93346213) is cis-(1S,2R)-2-[[(1S,3S)-3-methylcyclohexyl]amino]cyclohexan-1-ol.
What is the SMILES notation for cis-(1S,2R)-2-[[(1S,3S)-3-methylcyclohexyl]amino]cyclohexan-1-ol?
The canonical SMILES for cis-(1S,2R)-2-[[(1S,3S)-3-methylcyclohexyl]amino]cyclohexan-1-ol is C[C@H]1CCC[C@H](N[C@@H]2CCCC[C@@H]2O)C1.
What is the InChIKey of cis-(1S,2R)-2-[[(1S,3S)-3-methylcyclohexyl]amino]cyclohexan-1-ol?
The InChIKey is FWLYDNZTZDRXHT-RVMXOQNASA-N. The full InChI is InChI=1S/C13H25NO/c1-10-5-4-6-11(9-10)14-12-7-2-3-8-13(12)15/h10-15H,2-9H2,1H3/t10-,11-,12+,13-/m0/s1.
What are the key properties of cis-(1S,2R)-2-[[(1S,3S)-3-methylcyclohexyl]amino]cyclohexan-1-ol?
cis-(1S,2R)-2-[[(1S,3S)-3-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-(1S,2R)-2-[[(1S,3S)-3-methylcyclohexyl]amino]cyclohexan-1-ol is sourced from PubChem (CID 93346213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).