3-amino-3-tetradec-1-en-2-ylpentane-2,4-diol

C19H39NO2 — CID 88515556

IUPAC3-amino-3-tetradec-1-en-2-ylpentane-2,4-diol
SMILESC=C(CCCCCCCCCCCC)C(N)(C(C)O)C(C)O
InChIInChI=1S/C19H39NO2/c1-5-6-7-8-9-10-11-12-13-14-15-16(2)19(20,17(3)21)18(4)22/h17-18,21-22H,2,5-15,20H2,1,3-4H3
InChIKeyJELWYQZSECRAFL-UHFFFAOYSA-N
MW313.53 g/mol
LogP4.31
Rot. Bonds14

About 3-amino-3-tetradec-1-en-2-ylpentane-2,4-diol

3-amino-3-tetradec-1-en-2-ylpentane-2,4-diol (PubChem CID 88515556) has the molecular formula C19H39NO2 and a molecular weight of 313.53 g/mol. Its IUPAC name is 3-amino-3-tetradec-1-en-2-ylpentane-2,4-diol.

Molecular Properties

Compound Name3-amino-3-tetradec-1-en-2-ylpentane-2,4-diol
PubChem CID88515556
Molecular FormulaC19H39NO2
Molecular Weight313.53 g/mol
Exact Mass313.30
IUPAC Name3-amino-3-tetradec-1-en-2-ylpentane-2,4-diol
SMILESC=C(CCCCCCCCCCCC)C(N)(C(C)O)C(C)O
InChIInChI=1S/C19H39NO2/c1-5-6-7-8-9-10-11-12-13-14-15-16(2)19(20,17(3)21)18(4)22/h17-18,21-22H,2,5-15,20H2,1,3-4H3
InChIKeyJELWYQZSECRAFL-UHFFFAOYSA-N
XLogP4.31
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.53
LogP ≤ 54.31
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

2-Amino-2-(15-fluoro-8-methylidenepentadecyl)propane-1,3-diol
CID 123221513
2-Amino-2-(fluoromethyl)-10-methylideneoctadecan-1-ol
CID 123660766
2-Amino-2-ethenyloctadecane-1,3-diol
CID 19927065
2-Amino-2-(8-methylidenetetradecyl)propane-1,3-diol
CID 123300351
2-Amino-2-(hydroxymethyl)-10-methylideneoctadecane-1,18-diol
CID 144535643
(2S,3R)-2-amino-2-ethenyloctadecane-1,3-diol
CID 145820882
11-Amino-11-(3-aminoprop-1-enyl)henicosane-10,12-diol
CID 173257888
2-Amino-2-ethenyl-1,1,3-tritritiooctadecane-1,3-diol
CID 10472029
2-Amino-2-(4-methylpent-4-enyl)propane-1,3-diol
CID 142999968

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-tetradec-1-en-2-ylpentane-2,4-diol?
The IUPAC name of 3-amino-3-tetradec-1-en-2-ylpentane-2,4-diol (CID 88515556) is 3-amino-3-tetradec-1-en-2-ylpentane-2,4-diol.
What is the SMILES notation for 3-amino-3-tetradec-1-en-2-ylpentane-2,4-diol?
The canonical SMILES for 3-amino-3-tetradec-1-en-2-ylpentane-2,4-diol is C=C(CCCCCCCCCCCC)C(N)(C(C)O)C(C)O.
What is the InChIKey of 3-amino-3-tetradec-1-en-2-ylpentane-2,4-diol?
The InChIKey is JELWYQZSECRAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39NO2/c1-5-6-7-8-9-10-11-12-13-14-15-16(2)19(20,17(3)21)18(4)22/h17-18,21-22H,2,5-15,20H2,1,3-4H3.
What are the key properties of 3-amino-3-tetradec-1-en-2-ylpentane-2,4-diol?
3-amino-3-tetradec-1-en-2-ylpentane-2,4-diol has a molecular weight of 313.53 g/mol, XLogP of 4.31, 14 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-tetradec-1-en-2-ylpentane-2,4-diol is sourced from PubChem (CID 88515556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).