3-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]pentan-3-ol

C13H28N2O — CID 114492830

IUPAC3-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]pentan-3-ol
SMILESCCN1CCC(CNCC(O)(CC)CC)C1
InChIInChI=1S/C13H28N2O/c1-4-13(16,5-2)11-14-9-12-7-8-15(6-3)10-12/h12,14,16H,4-11H2,1-3H3
InChIKeyXPKRGQJTEDGDQF-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.47
Rot. Bonds7

About 3-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]pentan-3-ol

3-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]pentan-3-ol (PubChem CID 114492830) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 3-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]pentan-3-ol
PubChem CID114492830
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name3-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]pentan-3-ol
SMILESCCN1CCC(CNCC(O)(CC)CC)C1
InChIInChI=1S/C13H28N2O/c1-4-13(16,5-2)11-14-9-12-7-8-15(6-3)10-12/h12,14,16H,4-11H2,1-3H3
InChIKeyXPKRGQJTEDGDQF-UHFFFAOYSA-N
XLogP1.47
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]pentan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]pentan-3-ol?
The IUPAC name of 3-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]pentan-3-ol (CID 114492830) is 3-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]pentan-3-ol?
The canonical SMILES for 3-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]pentan-3-ol is CCN1CCC(CNCC(O)(CC)CC)C1.
What is the InChIKey of 3-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]pentan-3-ol?
The InChIKey is XPKRGQJTEDGDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-4-13(16,5-2)11-14-9-12-7-8-15(6-3)10-12/h12,14,16H,4-11H2,1-3H3.
What are the key properties of 3-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]pentan-3-ol?
3-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]pentan-3-ol has a molecular weight of 228.38 g/mol, XLogP of 1.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]pentan-3-ol is sourced from PubChem (CID 114492830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).