4-(cyclohexylmethylamino)butan-1-ol

C11H23NO — CID 13112659

IUPAC4-(cyclohexylmethylamino)butan-1-ol
SMILESOCCCCNCC1CCCCC1
InChIInChI=1S/C11H23NO/c13-9-5-4-8-12-10-11-6-2-1-3-7-11/h11-13H,1-10H2
InChIKeyPBLWQZKPJLFKFK-UHFFFAOYSA-N
MW185.31 g/mol
LogP1.93
Rot. Bonds6

About 4-(cyclohexylmethylamino)butan-1-ol

4-(cyclohexylmethylamino)butan-1-ol (PubChem CID 13112659) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 4-(cyclohexylmethylamino)butan-1-ol.

Molecular Properties

Compound Name4-(cyclohexylmethylamino)butan-1-ol
PubChem CID13112659
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name4-(cyclohexylmethylamino)butan-1-ol
SMILESOCCCCNCC1CCCCC1
InChIInChI=1S/C11H23NO/c13-9-5-4-8-12-10-11-6-2-1-3-7-11/h11-13H,1-10H2
InChIKeyPBLWQZKPJLFKFK-UHFFFAOYSA-N
XLogP1.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethylamino)butan-1-ol?
The IUPAC name of 4-(cyclohexylmethylamino)butan-1-ol (CID 13112659) is 4-(cyclohexylmethylamino)butan-1-ol.
What is the SMILES notation for 4-(cyclohexylmethylamino)butan-1-ol?
The canonical SMILES for 4-(cyclohexylmethylamino)butan-1-ol is OCCCCNCC1CCCCC1.
What is the InChIKey of 4-(cyclohexylmethylamino)butan-1-ol?
The InChIKey is PBLWQZKPJLFKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c13-9-5-4-8-12-10-11-6-2-1-3-7-11/h11-13H,1-10H2.
What are the key properties of 4-(cyclohexylmethylamino)butan-1-ol?
4-(cyclohexylmethylamino)butan-1-ol has a molecular weight of 185.31 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethylamino)butan-1-ol is sourced from PubChem (CID 13112659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).