2-aminohexadecan-1-ol

C16H35NO — CID 4115537

IUPAC2-aminohexadecan-1-ol
SMILESCCCCCCCCCCCCCCC(N)CO
InChIInChI=1S/C16H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(17)15-18/h16,18H,2-15,17H2,1H3
InChIKeyMNGRWBQCRJBGSJ-UHFFFAOYSA-N
MW257.46 g/mol
LogP4.40
Rot. Bonds14

About 2-aminohexadecan-1-ol

2-aminohexadecan-1-ol (PubChem CID 4115537) has the molecular formula C16H35NO and a molecular weight of 257.46 g/mol. Its IUPAC name is 2-aminohexadecan-1-ol.

Molecular Properties

Compound Name2-aminohexadecan-1-ol
PubChem CID4115537
Molecular FormulaC16H35NO
Molecular Weight257.46 g/mol
Exact Mass257.27
IUPAC Name2-aminohexadecan-1-ol
SMILESCCCCCCCCCCCCCCC(N)CO
InChIInChI=1S/C16H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(17)15-18/h16,18H,2-15,17H2,1H3
InChIKeyMNGRWBQCRJBGSJ-UHFFFAOYSA-N
XLogP4.40
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.46
LogP ≤ 54.40
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-aminohexadecan-1-ol?
The IUPAC name of 2-aminohexadecan-1-ol (CID 4115537) is 2-aminohexadecan-1-ol.
What is the SMILES notation for 2-aminohexadecan-1-ol?
The canonical SMILES for 2-aminohexadecan-1-ol is CCCCCCCCCCCCCCC(N)CO.
What is the InChIKey of 2-aminohexadecan-1-ol?
The InChIKey is MNGRWBQCRJBGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(17)15-18/h16,18H,2-15,17H2,1H3.
What are the key properties of 2-aminohexadecan-1-ol?
2-aminohexadecan-1-ol has a molecular weight of 257.46 g/mol, XLogP of 4.40, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminohexadecan-1-ol is sourced from PubChem (CID 4115537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).