[1-(butylamino)cyclohexyl]methanol

C11H23NO — CID 62520970

IUPAC[1-(butylamino)cyclohexyl]methanol
SMILESCCCCNC1(CO)CCCCC1
InChIInChI=1S/C11H23NO/c1-2-3-9-12-11(10-13)7-5-4-6-8-11/h12-13H,2-10H2,1H3
InChIKeyGCMYNWHFWMDXRZ-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.07
Rot. Bonds5

About [1-(butylamino)cyclohexyl]methanol

[1-(butylamino)cyclohexyl]methanol (PubChem CID 62520970) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is [1-(butylamino)cyclohexyl]methanol.

Molecular Properties

Compound Name[1-(butylamino)cyclohexyl]methanol
PubChem CID62520970
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name[1-(butylamino)cyclohexyl]methanol
SMILESCCCCNC1(CO)CCCCC1
InChIInChI=1S/C11H23NO/c1-2-3-9-12-11(10-13)7-5-4-6-8-11/h12-13H,2-10H2,1H3
InChIKeyGCMYNWHFWMDXRZ-UHFFFAOYSA-N
XLogP2.07
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.07
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 [1-(butylamino)cyclohexyl]methanol?
The IUPAC name of [1-(butylamino)cyclohexyl]methanol (CID 62520970) is [1-(butylamino)cyclohexyl]methanol.
What is the SMILES notation for [1-(butylamino)cyclohexyl]methanol?
The canonical SMILES for [1-(butylamino)cyclohexyl]methanol is CCCCNC1(CO)CCCCC1.
What is the InChIKey of [1-(butylamino)cyclohexyl]methanol?
The InChIKey is GCMYNWHFWMDXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-2-3-9-12-11(10-13)7-5-4-6-8-11/h12-13H,2-10H2,1H3.
What are the key properties of [1-(butylamino)cyclohexyl]methanol?
[1-(butylamino)cyclohexyl]methanol has a molecular weight of 185.31 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(butylamino)cyclohexyl]methanol is sourced from PubChem (CID 62520970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).