2-(butylamino)cyclohexan-1-ol

C10H21NO — CID 13343835

IUPAC2-(butylamino)cyclohexan-1-ol
SMILESCCCCNC1CCCCC1O
InChIInChI=1S/C10H21NO/c1-2-3-8-11-9-6-4-5-7-10(9)12/h9-12H,2-8H2,1H3
InChIKeyTYZGMUNLUOLITL-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.68
Rot. Bonds4

About 2-(butylamino)cyclohexan-1-ol

2-(butylamino)cyclohexan-1-ol (PubChem CID 13343835) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 2-(butylamino)cyclohexan-1-ol.

Molecular Properties

Compound Name2-(butylamino)cyclohexan-1-ol
PubChem CID13343835
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name2-(butylamino)cyclohexan-1-ol
SMILESCCCCNC1CCCCC1O
InChIInChI=1S/C10H21NO/c1-2-3-8-11-9-6-4-5-7-10(9)12/h9-12H,2-8H2,1H3
InChIKeyTYZGMUNLUOLITL-UHFFFAOYSA-N
XLogP1.68
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.68
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 2-(butylamino)cyclohexan-1-ol?
The IUPAC name of 2-(butylamino)cyclohexan-1-ol (CID 13343835) is 2-(butylamino)cyclohexan-1-ol.
What is the SMILES notation for 2-(butylamino)cyclohexan-1-ol?
The canonical SMILES for 2-(butylamino)cyclohexan-1-ol is CCCCNC1CCCCC1O.
What is the InChIKey of 2-(butylamino)cyclohexan-1-ol?
The InChIKey is TYZGMUNLUOLITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-2-3-8-11-9-6-4-5-7-10(9)12/h9-12H,2-8H2,1H3.
What are the key properties of 2-(butylamino)cyclohexan-1-ol?
2-(butylamino)cyclohexan-1-ol has a molecular weight of 171.28 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylamino)cyclohexan-1-ol is sourced from PubChem (CID 13343835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).