2-amino-2-propylpentadecan-1-ol

C18H39NO — CID 87201203

IUPAC2-amino-2-propylpentadecan-1-ol
SMILESCCCCCCCCCCCCCC(N)(CO)CCC
InChIInChI=1S/C18H39NO/c1-3-5-6-7-8-9-10-11-12-13-14-16-18(19,17-20)15-4-2/h20H,3-17,19H2,1-2H3
InChIKeyAWVNDMMFHTVCLQ-UHFFFAOYSA-N
MW285.52 g/mol
LogP5.18
Rot. Bonds15

About 2-amino-2-propylpentadecan-1-ol

2-amino-2-propylpentadecan-1-ol (PubChem CID 87201203) has the molecular formula C18H39NO and a molecular weight of 285.52 g/mol. Its IUPAC name is 2-amino-2-propylpentadecan-1-ol.

Molecular Properties

Compound Name2-amino-2-propylpentadecan-1-ol
PubChem CID87201203
Molecular FormulaC18H39NO
Molecular Weight285.52 g/mol
Exact Mass285.30
IUPAC Name2-amino-2-propylpentadecan-1-ol
SMILESCCCCCCCCCCCCCC(N)(CO)CCC
InChIInChI=1S/C18H39NO/c1-3-5-6-7-8-9-10-11-12-13-14-16-18(19,17-20)15-4-2/h20H,3-17,19H2,1-2H3
InChIKeyAWVNDMMFHTVCLQ-UHFFFAOYSA-N
XLogP5.18
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.52
LogP ≤ 55.18
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

2-amino-2-pentadecylpropane-1,3-diol
CID 10266875
2-amino-2-octadecylpropane-1,3-diol
CID 10712432
4-propylpentadecan-4-amine
CID 22244918
4-propylundecan-4-amine
CID 166728969
2-amino-2-hexyldodecan-1-ol;2-amino-2-methyltetradecan-1-ol
CID 87201189
11-decylhenicosan-11-amine
CID 19847882
(2S)-2-amino-2-propylbutane-1,4-diol
CID 174635362
10-nonylnonadecan-10-amine;hydroiodide
CID 173404185
7-hexylpentadecan-7-amine;hydrochloride
CID 173241489
9-heptylheptadecan-9-amine;hydrochloride
CID 173435584
15-tetradecylnonacosan-15-amine;hydrochloride
CID 173325035
5-butylhexadecan-5-amine
CID 22244897

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-propylpentadecan-1-ol?
The IUPAC name of 2-amino-2-propylpentadecan-1-ol (CID 87201203) is 2-amino-2-propylpentadecan-1-ol.
What is the SMILES notation for 2-amino-2-propylpentadecan-1-ol?
The canonical SMILES for 2-amino-2-propylpentadecan-1-ol is CCCCCCCCCCCCCC(N)(CO)CCC.
What is the InChIKey of 2-amino-2-propylpentadecan-1-ol?
The InChIKey is AWVNDMMFHTVCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39NO/c1-3-5-6-7-8-9-10-11-12-13-14-16-18(19,17-20)15-4-2/h20H,3-17,19H2,1-2H3.
What are the key properties of 2-amino-2-propylpentadecan-1-ol?
2-amino-2-propylpentadecan-1-ol has a molecular weight of 285.52 g/mol, XLogP of 5.18, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-propylpentadecan-1-ol is sourced from PubChem (CID 87201203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).