4-amino-2-tetradecyloxolan-3-ol

C18H37NO2 — CID 20764167

IUPAC4-amino-2-tetradecyloxolan-3-ol
SMILESCCCCCCCCCCCCCCC1OCC(N)C1O
InChIInChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-18(20)16(19)15-21-17/h16-18,20H,2-15,19H2,1H3
InChIKeyFBQCDJRSCUVUFL-UHFFFAOYSA-N
MW299.50 g/mol
LogP4.16
Rot. Bonds13

About 4-amino-2-tetradecyloxolan-3-ol

4-amino-2-tetradecyloxolan-3-ol (PubChem CID 20764167) has the molecular formula C18H37NO2 and a molecular weight of 299.50 g/mol. Its IUPAC name is 4-amino-2-tetradecyloxolan-3-ol.

Molecular Properties

Compound Name4-amino-2-tetradecyloxolan-3-ol
PubChem CID20764167
Molecular FormulaC18H37NO2
Molecular Weight299.50 g/mol
Exact Mass299.28
IUPAC Name4-amino-2-tetradecyloxolan-3-ol
SMILESCCCCCCCCCCCCCCC1OCC(N)C1O
InChIInChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-18(20)16(19)15-21-17/h16-18,20H,2-15,19H2,1H3
InChIKeyFBQCDJRSCUVUFL-UHFFFAOYSA-N
XLogP4.16
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.50
LogP ≤ 54.16
H-Bond Donors ≤ 52
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)-2-butyl-4-pentyloxolan-3-ol
CID 10965887
(2S,3R,4S)-4-amino-2-(nonoxymethyl)oxolan-3-ol
CID 132525337
(2S,3S,4R)-4-amino-2-[2-(3-heptylphenyl)ethyl]oxolan-3-ol
CID 122365196
(2S,3R,4R,5S)-4-methoxy-5-methyl-2-nonyloxan-3-ol
CID 57068245
2-methyl-4-pentadecyl-1,3-dioxan-5-amine
CID 18958033
(2R,3S)-2-octyl-3-pentyloxane
CID 20849211
(5S,6R)-5-heptyl-6-octyloxan-2-ol
CID 23401616
3-methyl-2-pentyloxetane
CID 20557182
2-heptylcyclohexan-1-amine
CID 23132318
trans-(1S,2R)-2-octylcyclopentan-1-amine
CID 97292499
2-dodecylcyclohexan-1-amine
CID 63400047
(3R,5R)-5-amino-2-[(dimethylamino)methyl]oxane-3,4-diol
CID 118554665

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-tetradecyloxolan-3-ol?
The IUPAC name of 4-amino-2-tetradecyloxolan-3-ol (CID 20764167) is 4-amino-2-tetradecyloxolan-3-ol.
What is the SMILES notation for 4-amino-2-tetradecyloxolan-3-ol?
The canonical SMILES for 4-amino-2-tetradecyloxolan-3-ol is CCCCCCCCCCCCCCC1OCC(N)C1O.
What is the InChIKey of 4-amino-2-tetradecyloxolan-3-ol?
The InChIKey is FBQCDJRSCUVUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-18(20)16(19)15-21-17/h16-18,20H,2-15,19H2,1H3.
What are the key properties of 4-amino-2-tetradecyloxolan-3-ol?
4-amino-2-tetradecyloxolan-3-ol has a molecular weight of 299.50 g/mol, XLogP of 4.16, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-tetradecyloxolan-3-ol is sourced from PubChem (CID 20764167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).