4-amino-2-tetradecylpyrrolidin-3-ol

C18H38N2O — CID 75576772

IUPAC4-amino-2-tetradecylpyrrolidin-3-ol
SMILESCCCCCCCCCCCCCCC1NCC(N)C1O
InChIInChI=1S/C18H38N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-18(21)16(19)15-20-17/h16-18,20-21H,2-15,19H2,1H3
InChIKeyIBZWJKPWFKTHKK-UHFFFAOYSA-N
MW298.51 g/mol
LogP3.74
Rot. Bonds13

About 4-amino-2-tetradecylpyrrolidin-3-ol

4-amino-2-tetradecylpyrrolidin-3-ol (PubChem CID 75576772) has the molecular formula C18H38N2O and a molecular weight of 298.51 g/mol. Its IUPAC name is 4-amino-2-tetradecylpyrrolidin-3-ol.

Molecular Properties

Compound Name4-amino-2-tetradecylpyrrolidin-3-ol
PubChem CID75576772
Molecular FormulaC18H38N2O
Molecular Weight298.51 g/mol
Exact Mass298.30
IUPAC Name4-amino-2-tetradecylpyrrolidin-3-ol
SMILESCCCCCCCCCCCCCCC1NCC(N)C1O
InChIInChI=1S/C18H38N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-18(21)16(19)15-20-17/h16-18,20-21H,2-15,19H2,1H3
InChIKeyIBZWJKPWFKTHKK-UHFFFAOYSA-N
XLogP3.74
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.51
LogP ≤ 53.74
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

(2R,3S,4S)-4-amino-2-(10-cyclohexyldecyl)pyrrolidin-3-ol
CID 154640831
(2S,4S,5S)-5-amino-2-tridecylpiperidin-4-ol
CID 10402448
(3R,4S,5R,6R)-5-(hydroxymethyl)-6-octylpiperidine-3,4-diol
CID 122657807
6-heptyl-5-(hydroxymethyl)piperidine-3,4-diol
CID 72785115
(2R,3S,4R,5R)-5-hexylpyrrolidine-2,3,4-triol
CID 52939397
4-amino-2-tetradecyloxolan-3-ol
CID 20764167
(2S,3S,4S,5S)-2-(hydroxymethyl)-5-undecylpyrrolidine-3,4-diol
CID 53316565
(2R,3R,4R)-2-(5-hydroxypentyl)pyrrolidine-3,4-diol
CID 45380291
(2S,3R,4R,5S,6R)-6-amino-2-(hydroxymethyl)azepane-3,4,5-triol
CID 11469580
(2R,4R,5R)-2-propylpiperidine-3,4,5-triol
CID 89224432
3-tridecylaziridine-2-carboxamide
CID 13310343
2-pentylaziridine
CID 19101061

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-tetradecylpyrrolidin-3-ol?
The IUPAC name of 4-amino-2-tetradecylpyrrolidin-3-ol (CID 75576772) is 4-amino-2-tetradecylpyrrolidin-3-ol.
What is the SMILES notation for 4-amino-2-tetradecylpyrrolidin-3-ol?
The canonical SMILES for 4-amino-2-tetradecylpyrrolidin-3-ol is CCCCCCCCCCCCCCC1NCC(N)C1O.
What is the InChIKey of 4-amino-2-tetradecylpyrrolidin-3-ol?
The InChIKey is IBZWJKPWFKTHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-18(21)16(19)15-20-17/h16-18,20-21H,2-15,19H2,1H3.
What are the key properties of 4-amino-2-tetradecylpyrrolidin-3-ol?
4-amino-2-tetradecylpyrrolidin-3-ol has a molecular weight of 298.51 g/mol, XLogP of 3.74, 13 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-tetradecylpyrrolidin-3-ol is sourced from PubChem (CID 75576772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).