trans-(1S,2S)-2-(2-methylazepan-1-yl)cyclopentan-1-ol

C12H23NO — CID 102734781

IUPACtrans-(1S,2S)-2-(2-methylazepan-1-yl)cyclopentan-1-ol
SMILESCC1CCCCCN1[C@H]1CCC[C@@H]1O
InChIInChI=1S/C12H23NO/c1-10-6-3-2-4-9-13(10)11-7-5-8-12(11)14/h10-12,14H,2-9H2,1H3/t10?,11-,12-/m0/s1
InChIKeyJDKYVSWZLOSWFV-RAMGSTBQSA-N
MW197.32 g/mol
LogP2.16
Rot. Bonds1

About trans-(1S,2S)-2-(2-methylazepan-1-yl)cyclopentan-1-ol

trans-(1S,2S)-2-(2-methylazepan-1-yl)cyclopentan-1-ol (PubChem CID 102734781) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is trans-(1S,2S)-2-(2-methylazepan-1-yl)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(2-methylazepan-1-yl)cyclopentan-1-ol
PubChem CID102734781
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Nametrans-(1S,2S)-2-(2-methylazepan-1-yl)cyclopentan-1-ol
SMILESCC1CCCCCN1[C@H]1CCC[C@@H]1O
InChIInChI=1S/C12H23NO/c1-10-6-3-2-4-9-13(10)11-7-5-8-12(11)14/h10-12,14H,2-9H2,1H3/t10?,11-,12-/m0/s1
InChIKeyJDKYVSWZLOSWFV-RAMGSTBQSA-N
XLogP2.16
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1S,2S)-2-(2-methylpiperidin-1-yl)cyclopentan-1-ol
CID 102734292
2-(2-methylpyrrolidin-1-yl)cyclopentan-1-ol
CID 60974161
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)cyclooctan-1-ol
CID 65319710
2-(2,4-dimethylpiperazin-1-yl)cyclohexan-1-ol
CID 103857711
trans-(1S,2S)-2-(3-methylthiomorpholin-4-yl)cyclopentan-1-ol
CID 102734775
trans-(1R,2R)-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclopentan-1-ol
CID 102734859
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)cyclooctan-1-ol
CID 82750366
trans-(1S,2S)-2-[2-(hydroxymethyl)piperidin-1-yl]cyclopentan-1-ol
CID 102734441
trans-(1S,2S)-2-(2-ethylpiperidin-1-yl)cyclohexan-1-ol
CID 102731877
N-methyl-2-(2-methylpiperidin-1-yl)cyclododecan-1-amine
CID 63464938
trans-(1R,2R)-2-(2-propylpiperidin-1-yl)cyclopentan-1-ol
CID 102734913
2-(2-methylpyrrolidin-1-yl)cyclooctan-1-amine
CID 60973336

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(2-methylazepan-1-yl)cyclopentan-1-ol?
The IUPAC name of trans-(1S,2S)-2-(2-methylazepan-1-yl)cyclopentan-1-ol (CID 102734781) is trans-(1S,2S)-2-(2-methylazepan-1-yl)cyclopentan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-(2-methylazepan-1-yl)cyclopentan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-(2-methylazepan-1-yl)cyclopentan-1-ol is CC1CCCCCN1[C@H]1CCC[C@@H]1O.
What is the InChIKey of trans-(1S,2S)-2-(2-methylazepan-1-yl)cyclopentan-1-ol?
The InChIKey is JDKYVSWZLOSWFV-RAMGSTBQSA-N. The full InChI is InChI=1S/C12H23NO/c1-10-6-3-2-4-9-13(10)11-7-5-8-12(11)14/h10-12,14H,2-9H2,1H3/t10?,11-,12-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(2-methylazepan-1-yl)cyclopentan-1-ol?
trans-(1S,2S)-2-(2-methylazepan-1-yl)cyclopentan-1-ol has a molecular weight of 197.32 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(2-methylazepan-1-yl)cyclopentan-1-ol is sourced from PubChem (CID 102734781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).