(3S)-3-amino-5-cyclohexylpentan-2-ol

C11H23NO — CID 59614801

IUPAC(3S)-3-amino-5-cyclohexylpentan-2-ol
SMILESCC(O)[C@@H](N)CCC1CCCCC1
InChIInChI=1S/C11H23NO/c1-9(13)11(12)8-7-10-5-3-2-4-6-10/h9-11,13H,2-8,12H2,1H3/t9?,11-/m0/s1
InChIKeyWOBZQYHXCSEMNT-UMJHXOGRSA-N
MW185.31 g/mol
LogP2.06
Rot. Bonds4

About (3S)-3-amino-5-cyclohexylpentan-2-ol

(3S)-3-amino-5-cyclohexylpentan-2-ol (PubChem CID 59614801) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is (3S)-3-amino-5-cyclohexylpentan-2-ol.

Molecular Properties

Compound Name(3S)-3-amino-5-cyclohexylpentan-2-ol
PubChem CID59614801
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name(3S)-3-amino-5-cyclohexylpentan-2-ol
SMILESCC(O)[C@@H](N)CCC1CCCCC1
InChIInChI=1S/C11H23NO/c1-9(13)11(12)8-7-10-5-3-2-4-6-10/h9-11,13H,2-8,12H2,1H3/t9?,11-/m0/s1
InChIKeyWOBZQYHXCSEMNT-UMJHXOGRSA-N
XLogP2.06
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-5-cyclohexylpentan-2-ol?
The IUPAC name of (3S)-3-amino-5-cyclohexylpentan-2-ol (CID 59614801) is (3S)-3-amino-5-cyclohexylpentan-2-ol.
What is the SMILES notation for (3S)-3-amino-5-cyclohexylpentan-2-ol?
The canonical SMILES for (3S)-3-amino-5-cyclohexylpentan-2-ol is CC(O)[C@@H](N)CCC1CCCCC1.
What is the InChIKey of (3S)-3-amino-5-cyclohexylpentan-2-ol?
The InChIKey is WOBZQYHXCSEMNT-UMJHXOGRSA-N. The full InChI is InChI=1S/C11H23NO/c1-9(13)11(12)8-7-10-5-3-2-4-6-10/h9-11,13H,2-8,12H2,1H3/t9?,11-/m0/s1.
What are the key properties of (3S)-3-amino-5-cyclohexylpentan-2-ol?
(3S)-3-amino-5-cyclohexylpentan-2-ol has a molecular weight of 185.31 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-5-cyclohexylpentan-2-ol is sourced from PubChem (CID 59614801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).