1-[(1R,2S)-2-(methylamino)cyclohexyl]cyclopentan-1-ol

C12H23NO — CID 138485486

IUPAC1-[(1R,2S)-2-(methylamino)cyclohexyl]cyclopentan-1-ol
SMILESCN[C@H]1CCCC[C@H]1C1(O)CCCC1
InChIInChI=1S/C12H23NO/c1-13-11-7-3-2-6-10(11)12(14)8-4-5-9-12/h10-11,13-14H,2-9H2,1H3/t10-,11+/m1/s1
InChIKeyYWHHQQAKPIZERS-MNOVXSKESA-N
MW197.32 g/mol
LogP2.07
Rot. Bonds2

About 1-[(1R,2S)-2-(methylamino)cyclohexyl]cyclopentan-1-ol

1-[(1R,2S)-2-(methylamino)cyclohexyl]cyclopentan-1-ol (PubChem CID 138485486) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-[(1R,2S)-2-(methylamino)cyclohexyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[(1R,2S)-2-(methylamino)cyclohexyl]cyclopentan-1-ol
PubChem CID138485486
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-[(1R,2S)-2-(methylamino)cyclohexyl]cyclopentan-1-ol
SMILESCN[C@H]1CCCC[C@H]1C1(O)CCCC1
InChIInChI=1S/C12H23NO/c1-13-11-7-3-2-6-10(11)12(14)8-4-5-9-12/h10-11,13-14H,2-9H2,1H3/t10-,11+/m1/s1
InChIKeyYWHHQQAKPIZERS-MNOVXSKESA-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

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2S)-2-(methylamino)cyclohexyl]cyclopentan-1-ol?
The IUPAC name of 1-[(1R,2S)-2-(methylamino)cyclohexyl]cyclopentan-1-ol (CID 138485486) is 1-[(1R,2S)-2-(methylamino)cyclohexyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[(1R,2S)-2-(methylamino)cyclohexyl]cyclopentan-1-ol?
The canonical SMILES for 1-[(1R,2S)-2-(methylamino)cyclohexyl]cyclopentan-1-ol is CN[C@H]1CCCC[C@H]1C1(O)CCCC1.
What is the InChIKey of 1-[(1R,2S)-2-(methylamino)cyclohexyl]cyclopentan-1-ol?
The InChIKey is YWHHQQAKPIZERS-MNOVXSKESA-N. The full InChI is InChI=1S/C12H23NO/c1-13-11-7-3-2-6-10(11)12(14)8-4-5-9-12/h10-11,13-14H,2-9H2,1H3/t10-,11+/m1/s1.
What are the key properties of 1-[(1R,2S)-2-(methylamino)cyclohexyl]cyclopentan-1-ol?
1-[(1R,2S)-2-(methylamino)cyclohexyl]cyclopentan-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 1-[(1R,2S)-2-(methylamino)cyclohexyl]cyclopentan-1-ol is sourced from PubChem (CID 138485486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).