1-aminopentadecan-4-ol

C15H33NO — CID 151480186

IUPAC1-aminopentadecan-4-ol
SMILESCCCCCCCCCCCC(O)CCCN
InChIInChI=1S/C15H33NO/c1-2-3-4-5-6-7-8-9-10-12-15(17)13-11-14-16/h15,17H,2-14,16H2,1H3
InChIKeyPMHOWASITMMWJL-UHFFFAOYSA-N
MW243.43 g/mol
LogP4.01
Rot. Bonds13

About 1-aminopentadecan-4-ol

1-aminopentadecan-4-ol (PubChem CID 151480186) has the molecular formula C15H33NO and a molecular weight of 243.43 g/mol. Its IUPAC name is 1-aminopentadecan-4-ol.

Molecular Properties

Compound Name1-aminopentadecan-4-ol
PubChem CID151480186
Molecular FormulaC15H33NO
Molecular Weight243.43 g/mol
Exact Mass243.26
IUPAC Name1-aminopentadecan-4-ol
SMILESCCCCCCCCCCCC(O)CCCN
InChIInChI=1S/C15H33NO/c1-2-3-4-5-6-7-8-9-10-12-15(17)13-11-14-16/h15,17H,2-14,16H2,1H3
InChIKeyPMHOWASITMMWJL-UHFFFAOYSA-N
XLogP4.01
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.43
LogP ≤ 54.01
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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Related Compounds

1-aminooctacosan-11-ol
CID 172994921
1-aminooctan-3-ol
CID 21436343
(3R)-1-aminooctan-3-ol
CID 22797502
(7R)-hexatriacontan-7-ol
CID 88529159
nonacosane-7,20-diol
CID 174949468
icosan-9-ol
CID 11983377
tetracosan-6-ol
CID 154265400
tetratetracontan-22-ol
CID 91434437
icosan-6-ol
CID 19931277
hexatriacontan-17-ol
CID 3020851
octacosan-10-ol
CID 22568705
(5S)-octadecan-5-ol
CID 98231191

Frequently Asked Questions

What is the IUPAC name of 1-aminopentadecan-4-ol?
The IUPAC name of 1-aminopentadecan-4-ol (CID 151480186) is 1-aminopentadecan-4-ol.
What is the SMILES notation for 1-aminopentadecan-4-ol?
The canonical SMILES for 1-aminopentadecan-4-ol is CCCCCCCCCCCC(O)CCCN.
What is the InChIKey of 1-aminopentadecan-4-ol?
The InChIKey is PMHOWASITMMWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO/c1-2-3-4-5-6-7-8-9-10-12-15(17)13-11-14-16/h15,17H,2-14,16H2,1H3.
What are the key properties of 1-aminopentadecan-4-ol?
1-aminopentadecan-4-ol has a molecular weight of 243.43 g/mol, XLogP of 4.01, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminopentadecan-4-ol is sourced from PubChem (CID 151480186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).