2-amino-2-pentadecylpropane-1,3-diol

C18H39NO2 — CID 10266875

IUPAC2-amino-2-pentadecylpropane-1,3-diol
SMILESCCCCCCCCCCCCCCCC(N)(CO)CO
InChIInChI=1S/C18H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(19,16-20)17-21/h20-21H,2-17,19H2,1H3
InChIKeyWSVVRIWJEAKEOI-UHFFFAOYSA-N
MW301.52 g/mol
LogP4.15
Rot. Bonds16

About 2-amino-2-pentadecylpropane-1,3-diol

2-amino-2-pentadecylpropane-1,3-diol (PubChem CID 10266875) has the molecular formula C18H39NO2 and a molecular weight of 301.52 g/mol. Its IUPAC name is 2-amino-2-pentadecylpropane-1,3-diol.

Molecular Properties

Compound Name2-amino-2-pentadecylpropane-1,3-diol
PubChem CID10266875
Molecular FormulaC18H39NO2
Molecular Weight301.52 g/mol
Exact Mass301.30
IUPAC Name2-amino-2-pentadecylpropane-1,3-diol
SMILESCCCCCCCCCCCCCCCC(N)(CO)CO
InChIInChI=1S/C18H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(19,16-20)17-21/h20-21H,2-17,19H2,1H3
InChIKeyWSVVRIWJEAKEOI-UHFFFAOYSA-N
XLogP4.15
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.52
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-2-octadecylpropane-1,3-diol
CID 10712432
2-amino-2-propylpentadecan-1-ol
CID 87201203
2-amino-2-hexyldodecan-1-ol;2-amino-2-methyltetradecan-1-ol
CID 87201189
11-decylhenicosan-11-amine
CID 19847882
2-amino-2-[3-[dimethyl(octyl)silyl]propyl]propane-1,3-diol
CID 86200813
12-undecyltetracosan-12-amine;hydrochloride
CID 173403860
7-hexylpentadecan-7-amine;hydrochloride
CID 173241489
9-heptylheptadecan-9-amine;hydrochloride
CID 173435584
15-tetradecylnonacosan-15-amine;hydrochloride
CID 173325035
12-undecyltricosan-12-amine;hydrate
CID 173445536
5-butylhexadecan-5-amine
CID 22244897
10-nonylnonadecan-10-amine;hydroiodide
CID 173404185

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-pentadecylpropane-1,3-diol?
The IUPAC name of 2-amino-2-pentadecylpropane-1,3-diol (CID 10266875) is 2-amino-2-pentadecylpropane-1,3-diol.
What is the SMILES notation for 2-amino-2-pentadecylpropane-1,3-diol?
The canonical SMILES for 2-amino-2-pentadecylpropane-1,3-diol is CCCCCCCCCCCCCCCC(N)(CO)CO.
What is the InChIKey of 2-amino-2-pentadecylpropane-1,3-diol?
The InChIKey is WSVVRIWJEAKEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(19,16-20)17-21/h20-21H,2-17,19H2,1H3.
What are the key properties of 2-amino-2-pentadecylpropane-1,3-diol?
2-amino-2-pentadecylpropane-1,3-diol has a molecular weight of 301.52 g/mol, XLogP of 4.15, 16 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-pentadecylpropane-1,3-diol is sourced from PubChem (CID 10266875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).