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

C15H32N2O3 — CID 78945233

IUPAC1-[(4-methylmorpholin-2-yl)methylamino]-3-(4-methylpentoxy)propan-2-ol
SMILESCC(C)CCCOCC(O)CNCC1CN(C)CCO1
InChIInChI=1S/C15H32N2O3/c1-13(2)5-4-7-19-12-14(18)9-16-10-15-11-17(3)6-8-20-15/h13-16,18H,4-12H2,1-3H3
InChIKeyPCGUUICUXYEEOC-UHFFFAOYSA-N
MW288.43 g/mol
LogP0.72
Rot. Bonds10

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

1-[(4-methylmorpholin-2-yl)methylamino]-3-(4-methylpentoxy)propan-2-ol (PubChem CID 78945233) has the molecular formula C15H32N2O3 and a molecular weight of 288.43 g/mol. Its IUPAC name is 1-[(4-methylmorpholin-2-yl)methylamino]-3-(4-methylpentoxy)propan-2-ol.

Molecular Properties

Compound Name1-[(4-methylmorpholin-2-yl)methylamino]-3-(4-methylpentoxy)propan-2-ol
PubChem CID78945233
Molecular FormulaC15H32N2O3
Molecular Weight288.43 g/mol
Exact Mass288.24
IUPAC Name1-[(4-methylmorpholin-2-yl)methylamino]-3-(4-methylpentoxy)propan-2-ol
SMILESCC(C)CCCOCC(O)CNCC1CN(C)CCO1
InChIInChI=1S/C15H32N2O3/c1-13(2)5-4-7-19-12-14(18)9-16-10-15-11-17(3)6-8-20-15/h13-16,18H,4-12H2,1-3H3
InChIKeyPCGUUICUXYEEOC-UHFFFAOYSA-N
XLogP0.72
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[(4-methylmorpholin-2-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-(cyclopropylmethoxy)-3-[(4-methylmorpholin-2-yl)methylamino]propan-2-ol
CID 78945247
1-(4-methylpentoxy)-3-(oxan-4-ylmethylamino)propan-2-ol
CID 63712373
(2S)-1-[[(2R)-4-methylmorpholin-2-yl]methylamino]-3-phenylmethoxypropan-2-ol
CID 95751212
1-[(1-ethylpyrrolidin-3-yl)methylamino]-3-(4-methylpentoxy)propan-2-ol
CID 60909797
ethane;2-methyl-N-[[4-[2-(4-methylpentoxy)ethyl]morpholin-2-yl]methyl]propan-1-amine
CID 176933389
1-[(4-methylmorpholin-2-yl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol
CID 78945365
2,2-dicyclopropyl-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
CID 79172002
1-(4-methylpentoxy)-3-(thiolan-2-ylmethylamino)propan-2-ol
CID 80585436
2-methyl-N-[(4-methylmorpholin-2-yl)methyl]butan-1-amine
CID 75356165
1-(4-methylpentoxy)-3-(3-pyrrolidin-1-ylpropylamino)propan-2-ol
CID 60669637
1-[(4-ethylmorpholin-2-yl)methylamino]-3-methoxypropan-2-ol
CID 78960612
(2S)-2-methyl-N-[[(2R)-4-methylmorpholin-2-yl]methyl]pentan-1-amine
CID 97045047

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylmorpholin-2-yl)methylamino]-3-(4-methylpentoxy)propan-2-ol?
The IUPAC name of 1-[(4-methylmorpholin-2-yl)methylamino]-3-(4-methylpentoxy)propan-2-ol (CID 78945233) is 1-[(4-methylmorpholin-2-yl)methylamino]-3-(4-methylpentoxy)propan-2-ol.
What is the SMILES notation for 1-[(4-methylmorpholin-2-yl)methylamino]-3-(4-methylpentoxy)propan-2-ol?
The canonical SMILES for 1-[(4-methylmorpholin-2-yl)methylamino]-3-(4-methylpentoxy)propan-2-ol is CC(C)CCCOCC(O)CNCC1CN(C)CCO1.
What is the InChIKey of 1-[(4-methylmorpholin-2-yl)methylamino]-3-(4-methylpentoxy)propan-2-ol?
The InChIKey is PCGUUICUXYEEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O3/c1-13(2)5-4-7-19-12-14(18)9-16-10-15-11-17(3)6-8-20-15/h13-16,18H,4-12H2,1-3H3.
What are the key properties of 1-[(4-methylmorpholin-2-yl)methylamino]-3-(4-methylpentoxy)propan-2-ol?
1-[(4-methylmorpholin-2-yl)methylamino]-3-(4-methylpentoxy)propan-2-ol has a molecular weight of 288.43 g/mol, XLogP of 0.72, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylmorpholin-2-yl)methylamino]-3-(4-methylpentoxy)propan-2-ol is sourced from PubChem (CID 78945233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).