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

C12H23NO — CID 95377487

IUPACcis-(1S,2R)-2-[[(1R,2S)-2-methylcyclopentyl]amino]cyclohexan-1-ol
SMILESC[C@H]1CCC[C@H]1N[C@@H]1CCCC[C@@H]1O
InChIInChI=1S/C12H23NO/c1-9-5-4-7-10(9)13-11-6-2-3-8-12(11)14/h9-14H,2-8H2,1H3/t9-,10+,11+,12-/m0/s1
InChIKeyRVVOAEHOHKIZKU-QCNOEVLYSA-N
MW197.32 g/mol
LogP2.07
Rot. Bonds2

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

cis-(1S,2R)-2-[[(1R,2S)-2-methylcyclopentyl]amino]cyclohexan-1-ol (PubChem CID 95377487) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is cis-(1S,2R)-2-[[(1R,2S)-2-methylcyclopentyl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1S,2R)-2-[[(1R,2S)-2-methylcyclopentyl]amino]cyclohexan-1-ol
PubChem CID95377487
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Namecis-(1S,2R)-2-[[(1R,2S)-2-methylcyclopentyl]amino]cyclohexan-1-ol
SMILESC[C@H]1CCC[C@H]1N[C@@H]1CCCC[C@@H]1O
InChIInChI=1S/C12H23NO/c1-9-5-4-7-10(9)13-11-6-2-3-8-12(11)14/h9-14H,2-8H2,1H3/t9-,10+,11+,12-/m0/s1
InChIKeyRVVOAEHOHKIZKU-QCNOEVLYSA-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 cis-(1S,2R)-2-[[(1R,2S)-2-methylcyclopentyl]amino]cyclohexan-1-ol with MolForge

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Related Compounds

cis-(1R,2S)-2-[[(1S,2R)-2-methylcyclohexyl]amino]cyclohexan-1-ol
CID 124710519
cis-(1S,2R)-2-methyl-N-[(1S,2R)-2-methylcyclopentyl]cyclohexan-1-amine
CID 124708997
2-[[(1S,2S)-2-hydroxycyclohexyl]amino]cycloheptan-1-ol
CID 102731599
2-[(1,3-dimethylpiperidin-4-yl)amino]cyclopentan-1-ol
CID 115891311
cis-(1S,2R)-2-(cyclobutylamino)cyclohexan-1-ol
CID 94414916
(3R,4S)-4-[[(1R,2R)-2-methylcyclohexyl]amino]-1,1-dioxothiolan-3-ol
CID 11889636
2-(cycloheptylamino)cyclopentan-1-ol
CID 60713716
2-methyl-N-(2-methylcyclohexyl)thian-3-amine
CID 79956809
cis-(1S,2R)-2-[[(1S,3S)-3-methylcyclohexyl]amino]cyclohexan-1-ol
CID 93346213
trans-(1R,2R)-2-[(3,4-dimethylcyclohexyl)amino]cyclopentan-1-ol
CID 102733568
2-[(2-methoxycyclopentyl)amino]cycloheptan-1-ol
CID 62088396
cis-(1R,2S)-N-cyclopropyl-2-methylcyclohexan-1-amine
CID 30048017

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[[(1R,2S)-2-methylcyclopentyl]amino]cyclohexan-1-ol?
The IUPAC name of cis-(1S,2R)-2-[[(1R,2S)-2-methylcyclopentyl]amino]cyclohexan-1-ol (CID 95377487) is cis-(1S,2R)-2-[[(1R,2S)-2-methylcyclopentyl]amino]cyclohexan-1-ol.
What is the SMILES notation for cis-(1S,2R)-2-[[(1R,2S)-2-methylcyclopentyl]amino]cyclohexan-1-ol?
The canonical SMILES for cis-(1S,2R)-2-[[(1R,2S)-2-methylcyclopentyl]amino]cyclohexan-1-ol is C[C@H]1CCC[C@H]1N[C@@H]1CCCC[C@@H]1O.
What is the InChIKey of cis-(1S,2R)-2-[[(1R,2S)-2-methylcyclopentyl]amino]cyclohexan-1-ol?
The InChIKey is RVVOAEHOHKIZKU-QCNOEVLYSA-N. The full InChI is InChI=1S/C12H23NO/c1-9-5-4-7-10(9)13-11-6-2-3-8-12(11)14/h9-14H,2-8H2,1H3/t9-,10+,11+,12-/m0/s1.
What are the key properties of cis-(1S,2R)-2-[[(1R,2S)-2-methylcyclopentyl]amino]cyclohexan-1-ol?
cis-(1S,2R)-2-[[(1R,2S)-2-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 cis-(1S,2R)-2-[[(1R,2S)-2-methylcyclopentyl]amino]cyclohexan-1-ol is sourced from PubChem (CID 95377487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).