6-aminohexan-1-ol

C6H15NO — CID 19960

IUPAC6-aminohexan-1-ol
SMILESNCCCCCCO
InChIInChI=1S/C6H15NO/c7-5-3-1-2-4-6-8/h8H,1-7H2
InChIKeySUTWPJHCRAITLU-UHFFFAOYSA-N
MW117.19 g/mol
LogP0.50
Rot. Bonds5

About 6-aminohexan-1-ol

6-aminohexan-1-ol (PubChem CID 19960) has the molecular formula C6H15NO and a molecular weight of 117.19 g/mol. Its IUPAC name is 6-aminohexan-1-ol.

Molecular Properties

Compound Name6-aminohexan-1-ol
PubChem CID19960
Molecular FormulaC6H15NO
Molecular Weight117.19 g/mol
Exact Mass117.12
IUPAC Name6-aminohexan-1-ol
SMILESNCCCCCCO
InChIInChI=1S/C6H15NO/c7-5-3-1-2-4-6-8/h8H,1-7H2
InChIKeySUTWPJHCRAITLU-UHFFFAOYSA-N
XLogP0.50
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.19
LogP ≤ 50.50
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 6-aminohexan-1-ol?
The IUPAC name of 6-aminohexan-1-ol (CID 19960) is 6-aminohexan-1-ol.
What is the SMILES notation for 6-aminohexan-1-ol?
The canonical SMILES for 6-aminohexan-1-ol is NCCCCCCO.
What is the InChIKey of 6-aminohexan-1-ol?
The InChIKey is SUTWPJHCRAITLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO/c7-5-3-1-2-4-6-8/h8H,1-7H2.
What are the key properties of 6-aminohexan-1-ol?
6-aminohexan-1-ol has a molecular weight of 117.19 g/mol, XLogP of 0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-aminohexan-1-ol is sourced from PubChem (CID 19960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).