1-[(1-ethylpyrrolidin-3-yl)methylamino]-3-(4-methylpentoxy)propan-2-ol

C16H34N2O2 — CID 60909797

IUPAC1-[(1-ethylpyrrolidin-3-yl)methylamino]-3-(4-methylpentoxy)propan-2-ol
SMILESCCN1CCC(CNCC(O)COCCCC(C)C)C1
InChIInChI=1S/C16H34N2O2/c1-4-18-8-7-15(12-18)10-17-11-16(19)13-20-9-5-6-14(2)3/h14-17,19H,4-13H2,1-3H3
InChIKeyBNLWKZFKJZJVAO-UHFFFAOYSA-N
MW286.46 g/mol
LogP1.73
Rot. Bonds11

About 1-[(1-ethylpyrrolidin-3-yl)methylamino]-3-(4-methylpentoxy)propan-2-ol

1-[(1-ethylpyrrolidin-3-yl)methylamino]-3-(4-methylpentoxy)propan-2-ol (PubChem CID 60909797) has the molecular formula C16H34N2O2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 1-[(1-ethylpyrrolidin-3-yl)methylamino]-3-(4-methylpentoxy)propan-2-ol.

Molecular Properties

Compound Name1-[(1-ethylpyrrolidin-3-yl)methylamino]-3-(4-methylpentoxy)propan-2-ol
PubChem CID60909797
Molecular FormulaC16H34N2O2
Molecular Weight286.46 g/mol
Exact Mass286.26
IUPAC Name1-[(1-ethylpyrrolidin-3-yl)methylamino]-3-(4-methylpentoxy)propan-2-ol
SMILESCCN1CCC(CNCC(O)COCCCC(C)C)C1
InChIInChI=1S/C16H34N2O2/c1-4-18-8-7-15(12-18)10-17-11-16(19)13-20-9-5-6-14(2)3/h14-17,19H,4-13H2,1-3H3
InChIKeyBNLWKZFKJZJVAO-UHFFFAOYSA-N
XLogP1.73
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[(1-ethylpyrrolidin-3-yl)methylamino]-3-(4-methylpentoxy)propan-2-ol with MolForge

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

Launch Full Analysis

Related Compounds

1-[(1-ethylpyrrolidin-3-yl)methylamino]-3-hexoxypropan-2-ol
CID 60909796
1-(4-methylpentoxy)-3-(oxan-4-ylmethylamino)propan-2-ol
CID 63712373
1-[(4-methylmorpholin-2-yl)methylamino]-3-(4-methylpentoxy)propan-2-ol
CID 78945233
1-butoxy-3-[3-[(2-methylpropylamino)methyl]piperidin-1-yl]propan-2-ol
CID 107264400
1-butoxy-3-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-2-ol
CID 107264166
1-(4-methylpentoxy)-3-(3-pyrrolidin-1-ylpropylamino)propan-2-ol
CID 60669637
1-(2-cyclobutylethylamino)-3-(4-methylpentoxy)propan-2-ol
CID 113478776
1-(4-methylpentoxy)-3-(thiolan-2-ylmethylamino)propan-2-ol
CID 80585436
1-(4-methylpentoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol
CID 115585726
1-(ethoxyamino)-3-(4-methylpentoxy)propan-2-ol
CID 60702220
N-[[1-(4-methylpentyl)piperidin-4-yl]methyl]ethanamine
CID 83158561
1-(4-methoxybutylamino)-3-(4-methylpentoxy)propan-2-ol
CID 60971092

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylpyrrolidin-3-yl)methylamino]-3-(4-methylpentoxy)propan-2-ol?
The IUPAC name of 1-[(1-ethylpyrrolidin-3-yl)methylamino]-3-(4-methylpentoxy)propan-2-ol (CID 60909797) is 1-[(1-ethylpyrrolidin-3-yl)methylamino]-3-(4-methylpentoxy)propan-2-ol.
What is the SMILES notation for 1-[(1-ethylpyrrolidin-3-yl)methylamino]-3-(4-methylpentoxy)propan-2-ol?
The canonical SMILES for 1-[(1-ethylpyrrolidin-3-yl)methylamino]-3-(4-methylpentoxy)propan-2-ol is CCN1CCC(CNCC(O)COCCCC(C)C)C1.
What is the InChIKey of 1-[(1-ethylpyrrolidin-3-yl)methylamino]-3-(4-methylpentoxy)propan-2-ol?
The InChIKey is BNLWKZFKJZJVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O2/c1-4-18-8-7-15(12-18)10-17-11-16(19)13-20-9-5-6-14(2)3/h14-17,19H,4-13H2,1-3H3.
What are the key properties of 1-[(1-ethylpyrrolidin-3-yl)methylamino]-3-(4-methylpentoxy)propan-2-ol?
1-[(1-ethylpyrrolidin-3-yl)methylamino]-3-(4-methylpentoxy)propan-2-ol has a molecular weight of 286.46 g/mol, XLogP of 1.73, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylpyrrolidin-3-yl)methylamino]-3-(4-methylpentoxy)propan-2-ol is sourced from PubChem (CID 60909797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).