3-(propylaminomethyl)oxolan-3-ol

C8H17NO2 — CID 63333473

IUPAC3-(propylaminomethyl)oxolan-3-ol
SMILESCCCNCC1(O)CCOC1
InChIInChI=1S/C8H17NO2/c1-2-4-9-6-8(10)3-5-11-7-8/h9-10H,2-7H2,1H3
InChIKeyWGZZEZOIJNCBLH-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.14
Rot. Bonds4

About 3-(propylaminomethyl)oxolan-3-ol

3-(propylaminomethyl)oxolan-3-ol (PubChem CID 63333473) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 3-(propylaminomethyl)oxolan-3-ol.

Molecular Properties

Compound Name3-(propylaminomethyl)oxolan-3-ol
PubChem CID63333473
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name3-(propylaminomethyl)oxolan-3-ol
SMILESCCCNCC1(O)CCOC1
InChIInChI=1S/C8H17NO2/c1-2-4-9-6-8(10)3-5-11-7-8/h9-10H,2-7H2,1H3
InChIKeyWGZZEZOIJNCBLH-UHFFFAOYSA-N
XLogP0.14
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.14
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

3-(Methoxymethyl)pyrrolidin-3-ol
CID 21918851
(3-Methoxypyrrolidin-3-yl)methanol hydrochloride
CID 137964288
((3-Ethoxyoxolan-3-yl)methyl)(methyl)amine
CID 105431249
Methyl(((3-(propan-2-yloxy)oxolan-3-yl)methyl))amine
CID 146082573
(3-Methoxypyrrolidin-3-yl)methanol
CID 19382188
2-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine
CID 104760680
3-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine
CID 104760940
3-[(6,6,6-Trifluorohexan-2-ylamino)methyl]oxolan-3-ol
CID 104925234
3-[(1,1-Difluoropropan-2-ylamino)methyl]oxolan-3-ol
CID 106099939
3-[[2-(2,2,2-Trifluoroethoxy)ethylamino]methyl]oxolan-3-ol
CID 106100420
3-[(2-Fluoroethylamino)methyl]oxolan-3-ol
CID 106100438
3-[[(3,3,3-Trifluoro-2-hydroxypropyl)amino]methyl]oxolan-3-ol
CID 106100444

Frequently Asked Questions

What is the IUPAC name of 3-(propylaminomethyl)oxolan-3-ol?
The IUPAC name of 3-(propylaminomethyl)oxolan-3-ol (CID 63333473) is 3-(propylaminomethyl)oxolan-3-ol.
What is the SMILES notation for 3-(propylaminomethyl)oxolan-3-ol?
The canonical SMILES for 3-(propylaminomethyl)oxolan-3-ol is CCCNCC1(O)CCOC1.
What is the InChIKey of 3-(propylaminomethyl)oxolan-3-ol?
The InChIKey is WGZZEZOIJNCBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-2-4-9-6-8(10)3-5-11-7-8/h9-10H,2-7H2,1H3.
What are the key properties of 3-(propylaminomethyl)oxolan-3-ol?
3-(propylaminomethyl)oxolan-3-ol has a molecular weight of 159.23 g/mol, XLogP of 0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propylaminomethyl)oxolan-3-ol is sourced from PubChem (CID 63333473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).