2-(oxolan-2-ylmethylamino)-2-propylpentan-1-ol

C13H27NO2 — CID 61049174

IUPAC2-(oxolan-2-ylmethylamino)-2-propylpentan-1-ol
SMILESCCCC(CO)(CCC)NCC1CCCO1
InChIInChI=1S/C13H27NO2/c1-3-7-13(11-15,8-4-2)14-10-12-6-5-9-16-12/h12,14-15H,3-11H2,1-2H3
InChIKeyWZVIWJFKMGHGIC-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.09
Rot. Bonds8

About 2-(oxolan-2-ylmethylamino)-2-propylpentan-1-ol

2-(oxolan-2-ylmethylamino)-2-propylpentan-1-ol (PubChem CID 61049174) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 2-(oxolan-2-ylmethylamino)-2-propylpentan-1-ol.

Molecular Properties

Compound Name2-(oxolan-2-ylmethylamino)-2-propylpentan-1-ol
PubChem CID61049174
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name2-(oxolan-2-ylmethylamino)-2-propylpentan-1-ol
SMILESCCCC(CO)(CCC)NCC1CCCO1
InChIInChI=1S/C13H27NO2/c1-3-7-13(11-15,8-4-2)14-10-12-6-5-9-16-12/h12,14-15H,3-11H2,1-2H3
InChIKeyWZVIWJFKMGHGIC-UHFFFAOYSA-N
XLogP2.09
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-ylmethylamino)-2-propylpentan-1-ol?
The IUPAC name of 2-(oxolan-2-ylmethylamino)-2-propylpentan-1-ol (CID 61049174) is 2-(oxolan-2-ylmethylamino)-2-propylpentan-1-ol.
What is the SMILES notation for 2-(oxolan-2-ylmethylamino)-2-propylpentan-1-ol?
The canonical SMILES for 2-(oxolan-2-ylmethylamino)-2-propylpentan-1-ol is CCCC(CO)(CCC)NCC1CCCO1.
What is the InChIKey of 2-(oxolan-2-ylmethylamino)-2-propylpentan-1-ol?
The InChIKey is WZVIWJFKMGHGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-3-7-13(11-15,8-4-2)14-10-12-6-5-9-16-12/h12,14-15H,3-11H2,1-2H3.
What are the key properties of 2-(oxolan-2-ylmethylamino)-2-propylpentan-1-ol?
2-(oxolan-2-ylmethylamino)-2-propylpentan-1-ol has a molecular weight of 229.36 g/mol, XLogP of 2.09, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-ylmethylamino)-2-propylpentan-1-ol is sourced from PubChem (CID 61049174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).