3-amino-2,3-dimethylpentadecan-1-ol

C17H37NO — CID 87131528

IUPAC3-amino-2,3-dimethylpentadecan-1-ol
SMILESCCCCCCCCCCCCC(C)(N)C(C)CO
InChIInChI=1S/C17H37NO/c1-4-5-6-7-8-9-10-11-12-13-14-17(3,18)16(2)15-19/h16,19H,4-15,18H2,1-3H3
InChIKeyGFAYSKRQPOIYRQ-UHFFFAOYSA-N
MW271.49 g/mol
LogP4.64
Rot. Bonds13

About 3-amino-2,3-dimethylpentadecan-1-ol

3-amino-2,3-dimethylpentadecan-1-ol (PubChem CID 87131528) has the molecular formula C17H37NO and a molecular weight of 271.49 g/mol. Its IUPAC name is 3-amino-2,3-dimethylpentadecan-1-ol.

Molecular Properties

Compound Name3-amino-2,3-dimethylpentadecan-1-ol
PubChem CID87131528
Molecular FormulaC17H37NO
Molecular Weight271.49 g/mol
Exact Mass271.29
IUPAC Name3-amino-2,3-dimethylpentadecan-1-ol
SMILESCCCCCCCCCCCCC(C)(N)C(C)CO
InChIInChI=1S/C17H37NO/c1-4-5-6-7-8-9-10-11-12-13-14-17(3,18)16(2)15-19/h16,19H,4-15,18H2,1-3H3
InChIKeyGFAYSKRQPOIYRQ-UHFFFAOYSA-N
XLogP4.64
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.49
LogP ≤ 54.64
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 3-amino-2,3-dimethylpentadecan-1-ol?
The IUPAC name of 3-amino-2,3-dimethylpentadecan-1-ol (CID 87131528) is 3-amino-2,3-dimethylpentadecan-1-ol.
What is the SMILES notation for 3-amino-2,3-dimethylpentadecan-1-ol?
The canonical SMILES for 3-amino-2,3-dimethylpentadecan-1-ol is CCCCCCCCCCCCC(C)(N)C(C)CO.
What is the InChIKey of 3-amino-2,3-dimethylpentadecan-1-ol?
The InChIKey is GFAYSKRQPOIYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37NO/c1-4-5-6-7-8-9-10-11-12-13-14-17(3,18)16(2)15-19/h16,19H,4-15,18H2,1-3H3.
What are the key properties of 3-amino-2,3-dimethylpentadecan-1-ol?
3-amino-2,3-dimethylpentadecan-1-ol has a molecular weight of 271.49 g/mol, XLogP of 4.64, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,3-dimethylpentadecan-1-ol is sourced from PubChem (CID 87131528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).