trans-(1S,2S)-2-[[(1S,3R)-3-methylcyclopentyl]amino]cyclohexan-1-ol

C12H23NO — CID 124677465

IUPACtrans-(1S,2S)-2-[[(1S,3R)-3-methylcyclopentyl]amino]cyclohexan-1-ol
SMILESC[C@@H]1CC[C@H](N[C@H]2CCCC[C@@H]2O)C1
InChIInChI=1S/C12H23NO/c1-9-6-7-10(8-9)13-11-4-2-3-5-12(11)14/h9-14H,2-8H2,1H3/t9-,10+,11+,12+/m1/s1
InChIKeyNCHURRQCPLAYEJ-RHYQMDGZSA-N
MW197.32 g/mol
LogP2.07
Rot. Bonds2

About trans-(1S,2S)-2-[[(1S,3R)-3-methylcyclopentyl]amino]cyclohexan-1-ol

trans-(1S,2S)-2-[[(1S,3R)-3-methylcyclopentyl]amino]cyclohexan-1-ol (PubChem CID 124677465) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is trans-(1S,2S)-2-[[(1S,3R)-3-methylcyclopentyl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[[(1S,3R)-3-methylcyclopentyl]amino]cyclohexan-1-ol
PubChem CID124677465
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Nametrans-(1S,2S)-2-[[(1S,3R)-3-methylcyclopentyl]amino]cyclohexan-1-ol
SMILESC[C@@H]1CC[C@H](N[C@H]2CCCC[C@@H]2O)C1
InChIInChI=1S/C12H23NO/c1-9-6-7-10(8-9)13-11-4-2-3-5-12(11)14/h9-14H,2-8H2,1H3/t9-,10+,11+,12+/m1/s1
InChIKeyNCHURRQCPLAYEJ-RHYQMDGZSA-N
XLogP2.07
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze trans-(1S,2S)-2-[[(1S,3R)-3-methylcyclopentyl]amino]cyclohexan-1-ol with MolForge

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Related Compounds

cis-(1S,2R)-2-[[(1S,3S)-3-methylcyclohexyl]amino]cyclohexan-1-ol
CID 93346213
2-[(3,5-dimethylcyclohexyl)amino]cyclopentan-1-ol
CID 64733650
trans-(1R,2R)-2-[(3,5-dimethylcyclohexyl)amino]cyclopentan-1-ol
CID 102733566
trans-(1R,2R)-2-[(3,4-dimethylcyclohexyl)amino]cyclopentan-1-ol
CID 102733568
trans-(1R,2R)-2-(cyclopropylamino)cyclopentan-1-ol
CID 92555045
cis-(1S,2R)-2-(cyclobutylamino)cyclohexan-1-ol
CID 94414916
trans-(1R,2R)-2-(cyclopentylamino)cycloheptan-1-ol
CID 93383696
trans-(1S,2S)-2-[(5-methylthiolan-3-yl)amino]cyclohexan-1-ol
CID 131223427
2-(cycloheptylamino)cyclopentan-1-ol
CID 60713716
N-[(1R,3R)-3-methylcyclopentyl]cyclohexanamine
CID 95376125
2-[(3-propan-2-ylcyclobutyl)amino]cycloheptan-1-ol
CID 103562307
2-[(3-methoxycyclobutyl)amino]cyclohexan-1-ol
CID 104871484

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[[(1S,3R)-3-methylcyclopentyl]amino]cyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-[[(1S,3R)-3-methylcyclopentyl]amino]cyclohexan-1-ol (CID 124677465) is trans-(1S,2S)-2-[[(1S,3R)-3-methylcyclopentyl]amino]cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-[[(1S,3R)-3-methylcyclopentyl]amino]cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-[[(1S,3R)-3-methylcyclopentyl]amino]cyclohexan-1-ol is C[C@@H]1CC[C@H](N[C@H]2CCCC[C@@H]2O)C1.
What is the InChIKey of trans-(1S,2S)-2-[[(1S,3R)-3-methylcyclopentyl]amino]cyclohexan-1-ol?
The InChIKey is NCHURRQCPLAYEJ-RHYQMDGZSA-N. The full InChI is InChI=1S/C12H23NO/c1-9-6-7-10(8-9)13-11-4-2-3-5-12(11)14/h9-14H,2-8H2,1H3/t9-,10+,11+,12+/m1/s1.
What are the key properties of trans-(1S,2S)-2-[[(1S,3R)-3-methylcyclopentyl]amino]cyclohexan-1-ol?
trans-(1S,2S)-2-[[(1S,3R)-3-methylcyclopentyl]amino]cyclohexan-1-ol has a molecular weight of 197.32 g/mol, XLogP of 2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[[(1S,3R)-3-methylcyclopentyl]amino]cyclohexan-1-ol is sourced from PubChem (CID 124677465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).