3-methyl-1-(4-propan-2-ylmorpholin-2-yl)-N-propylbut-3-en-1-amine

C15H30N2O — CID 79662653

IUPAC3-methyl-1-(4-propan-2-ylmorpholin-2-yl)-N-propylbut-3-en-1-amine
SMILESC=C(C)CC(NCCC)C1CN(C(C)C)CCO1
InChIInChI=1S/C15H30N2O/c1-6-7-16-14(10-12(2)3)15-11-17(13(4)5)8-9-18-15/h13-16H,2,6-11H2,1,3-5H3
InChIKeySUSAOYYALOMNFE-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.43
Rot. Bonds7

About 3-methyl-1-(4-propan-2-ylmorpholin-2-yl)-N-propylbut-3-en-1-amine

3-methyl-1-(4-propan-2-ylmorpholin-2-yl)-N-propylbut-3-en-1-amine (PubChem CID 79662653) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 3-methyl-1-(4-propan-2-ylmorpholin-2-yl)-N-propylbut-3-en-1-amine.

Molecular Properties

Compound Name3-methyl-1-(4-propan-2-ylmorpholin-2-yl)-N-propylbut-3-en-1-amine
PubChem CID79662653
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name3-methyl-1-(4-propan-2-ylmorpholin-2-yl)-N-propylbut-3-en-1-amine
SMILESC=C(C)CC(NCCC)C1CN(C(C)C)CCO1
InChIInChI=1S/C15H30N2O/c1-6-7-16-14(10-12(2)3)15-11-17(13(4)5)8-9-18-15/h13-16H,2,6-11H2,1,3-5H3
InChIKeySUSAOYYALOMNFE-UHFFFAOYSA-N
XLogP2.43
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-methyl-1-(4-propan-2-ylmorpholin-2-yl)-N-propylbut-3-en-1-amine 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

3-methylidene-1-(4-propan-2-ylmorpholin-2-yl)-N-propylpentan-1-amine
CID 79664074
[3-methyl-1-(4-propan-2-ylmorpholin-2-yl)but-3-enyl]hydrazine
CID 105248190
1-(4-propan-2-ylmorpholin-2-yl)-N-propylpent-4-en-1-amine
CID 79663133
N-[2-cyclopropyl-1-(4-propan-2-ylmorpholin-2-yl)ethyl]propan-1-amine
CID 79665414
N-[2-ethoxy-1-(4-propan-2-ylmorpholin-2-yl)ethyl]propan-1-amine
CID 79662427
N-[1-(4-propan-2-ylmorpholin-2-yl)-2-propan-2-yloxyethyl]propan-1-amine
CID 79663134
1-(4-propan-2-ylmorpholin-2-yl)-N-propyloct-7-en-1-amine
CID 107009451
N-ethyl-3-methyl-1-(4-methylmorpholin-2-yl)but-3-en-1-amine
CID 79186078
N-[cyclopropyl-(4-propan-2-ylmorpholin-2-yl)methyl]propan-1-amine
CID 79664305
N-[1-(4-propan-2-ylmorpholin-2-yl)-2-thiophen-2-ylethyl]propan-1-amine
CID 79664970
N-[2-(1-methylpyrazol-4-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethyl]propan-1-amine
CID 79665970
N-[(4-propan-2-ylmorpholin-2-yl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 79665233

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(4-propan-2-ylmorpholin-2-yl)-N-propylbut-3-en-1-amine?
The IUPAC name of 3-methyl-1-(4-propan-2-ylmorpholin-2-yl)-N-propylbut-3-en-1-amine (CID 79662653) is 3-methyl-1-(4-propan-2-ylmorpholin-2-yl)-N-propylbut-3-en-1-amine.
What is the SMILES notation for 3-methyl-1-(4-propan-2-ylmorpholin-2-yl)-N-propylbut-3-en-1-amine?
The canonical SMILES for 3-methyl-1-(4-propan-2-ylmorpholin-2-yl)-N-propylbut-3-en-1-amine is C=C(C)CC(NCCC)C1CN(C(C)C)CCO1.
What is the InChIKey of 3-methyl-1-(4-propan-2-ylmorpholin-2-yl)-N-propylbut-3-en-1-amine?
The InChIKey is SUSAOYYALOMNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-6-7-16-14(10-12(2)3)15-11-17(13(4)5)8-9-18-15/h13-16H,2,6-11H2,1,3-5H3.
What are the key properties of 3-methyl-1-(4-propan-2-ylmorpholin-2-yl)-N-propylbut-3-en-1-amine?
3-methyl-1-(4-propan-2-ylmorpholin-2-yl)-N-propylbut-3-en-1-amine has a molecular weight of 254.42 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(4-propan-2-ylmorpholin-2-yl)-N-propylbut-3-en-1-amine is sourced from PubChem (CID 79662653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).