2-amino-2-(8-methylidenetetradecyl)propane-1,3-diol

C18H37NO2 — CID 123300351

IUPAC2-amino-2-(8-methylidenetetradecyl)propane-1,3-diol
SMILESC=C(CCCCCC)CCCCCCCC(N)(CO)CO
InChIInChI=1S/C18H37NO2/c1-3-4-5-9-12-17(2)13-10-7-6-8-11-14-18(19,15-20)16-21/h20-21H,2-16,19H2,1H3
InChIKeyFYOBZZOTTPIWKN-UHFFFAOYSA-N
MW299.50 g/mol
LogP3.93
Rot. Bonds15

About 2-amino-2-(8-methylidenetetradecyl)propane-1,3-diol

2-amino-2-(8-methylidenetetradecyl)propane-1,3-diol (PubChem CID 123300351) has the molecular formula C18H37NO2 and a molecular weight of 299.50 g/mol. Its IUPAC name is 2-amino-2-(8-methylidenetetradecyl)propane-1,3-diol.

Molecular Properties

Compound Name2-amino-2-(8-methylidenetetradecyl)propane-1,3-diol
PubChem CID123300351
Molecular FormulaC18H37NO2
Molecular Weight299.50 g/mol
Exact Mass299.28
IUPAC Name2-amino-2-(8-methylidenetetradecyl)propane-1,3-diol
SMILESC=C(CCCCCC)CCCCCCCC(N)(CO)CO
InChIInChI=1S/C18H37NO2/c1-3-4-5-9-12-17(2)13-10-7-6-8-11-14-18(19,15-20)16-21/h20-21H,2-16,19H2,1H3
InChIKeyFYOBZZOTTPIWKN-UHFFFAOYSA-N
XLogP3.93
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.50
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,3-Propanediol, 2-amino-2-tetradecyl-
CID 9860720
2-Amino-2-pentadecylpropane-1,3-diol
CID 10266875
2-Amino-2-icosylpropane-1,3-diol
CID 10571288
2-Amino-2-hexadecylpropane-1,3-diol
CID 10663185
2-Amino-2-octadecylpropane-1,3-diol
CID 10712432
2-Amino-2-tridecylpropane-1,3-diol
CID 10849886
2-Amino-2-docosylpropane-1,3-diol
CID 10810970
2-Amino-2-(15-fluoro-8-methylidenepentadecyl)propane-1,3-diol
CID 123221513
2-Amino-2-(8-ethylidene-16-fluorohexadecyl)propane-1,3-diol
CID 123288875
2-Amino-2-(fluoromethyl)-10-methylideneoctadecan-1-ol
CID 123660766
2-Amino-2-ethenyloctadecane-1,3-diol
CID 19927065
2-amino-2-[(E)-tetradec-4-enyl]propane-1,3-diol;hydrochloride
CID 21849178

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(8-methylidenetetradecyl)propane-1,3-diol?
The IUPAC name of 2-amino-2-(8-methylidenetetradecyl)propane-1,3-diol (CID 123300351) is 2-amino-2-(8-methylidenetetradecyl)propane-1,3-diol.
What is the SMILES notation for 2-amino-2-(8-methylidenetetradecyl)propane-1,3-diol?
The canonical SMILES for 2-amino-2-(8-methylidenetetradecyl)propane-1,3-diol is C=C(CCCCCC)CCCCCCCC(N)(CO)CO.
What is the InChIKey of 2-amino-2-(8-methylidenetetradecyl)propane-1,3-diol?
The InChIKey is FYOBZZOTTPIWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO2/c1-3-4-5-9-12-17(2)13-10-7-6-8-11-14-18(19,15-20)16-21/h20-21H,2-16,19H2,1H3.
What are the key properties of 2-amino-2-(8-methylidenetetradecyl)propane-1,3-diol?
2-amino-2-(8-methylidenetetradecyl)propane-1,3-diol has a molecular weight of 299.50 g/mol, XLogP of 3.93, 15 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(8-methylidenetetradecyl)propane-1,3-diol is sourced from PubChem (CID 123300351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).