3-methylidene-1-(4-propan-2-ylmorpholin-2-yl)-N-propylpentan-1-amine

C16H32N2O — CID 79664074

IUPAC3-methylidene-1-(4-propan-2-ylmorpholin-2-yl)-N-propylpentan-1-amine
SMILESC=C(CC)CC(NCCC)C1CN(C(C)C)CCO1
InChIInChI=1S/C16H32N2O/c1-6-8-17-15(11-14(5)7-2)16-12-18(13(3)4)9-10-19-16/h13,15-17H,5-12H2,1-4H3
InChIKeyVQNGZIINPKTSQA-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.82
Rot. Bonds8

About 3-methylidene-1-(4-propan-2-ylmorpholin-2-yl)-N-propylpentan-1-amine

3-methylidene-1-(4-propan-2-ylmorpholin-2-yl)-N-propylpentan-1-amine (PubChem CID 79664074) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 3-methylidene-1-(4-propan-2-ylmorpholin-2-yl)-N-propylpentan-1-amine.

Molecular Properties

Compound Name3-methylidene-1-(4-propan-2-ylmorpholin-2-yl)-N-propylpentan-1-amine
PubChem CID79664074
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name3-methylidene-1-(4-propan-2-ylmorpholin-2-yl)-N-propylpentan-1-amine
SMILESC=C(CC)CC(NCCC)C1CN(C(C)C)CCO1
InChIInChI=1S/C16H32N2O/c1-6-8-17-15(11-14(5)7-2)16-12-18(13(3)4)9-10-19-16/h13,15-17H,5-12H2,1-4H3
InChIKeyVQNGZIINPKTSQA-UHFFFAOYSA-N
XLogP2.82
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-methylidene-1-(4-propan-2-ylmorpholin-2-yl)-N-propylpentan-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-methyl-1-(4-propan-2-ylmorpholin-2-yl)-N-propylbut-3-en-1-amine
CID 79662653
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
1-(4-propan-2-ylmorpholin-2-yl)-N-propyloct-7-en-1-amine
CID 107009451
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
3-methylidene-1-(oxolan-2-yl)-N-propylpentan-1-amine
CID 66037811
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
[3-methyl-1-(4-propan-2-ylmorpholin-2-yl)but-3-enyl]hydrazine
CID 105248190
N-[2-(1-methylpyrazol-4-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethyl]propan-1-amine
CID 79665970
N-ethyl-4,4-dimethyl-1-(4-propan-2-ylmorpholin-2-yl)pentan-1-amine
CID 79665225

Frequently Asked Questions

What is the IUPAC name of 3-methylidene-1-(4-propan-2-ylmorpholin-2-yl)-N-propylpentan-1-amine?
The IUPAC name of 3-methylidene-1-(4-propan-2-ylmorpholin-2-yl)-N-propylpentan-1-amine (CID 79664074) is 3-methylidene-1-(4-propan-2-ylmorpholin-2-yl)-N-propylpentan-1-amine.
What is the SMILES notation for 3-methylidene-1-(4-propan-2-ylmorpholin-2-yl)-N-propylpentan-1-amine?
The canonical SMILES for 3-methylidene-1-(4-propan-2-ylmorpholin-2-yl)-N-propylpentan-1-amine is C=C(CC)CC(NCCC)C1CN(C(C)C)CCO1.
What is the InChIKey of 3-methylidene-1-(4-propan-2-ylmorpholin-2-yl)-N-propylpentan-1-amine?
The InChIKey is VQNGZIINPKTSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-6-8-17-15(11-14(5)7-2)16-12-18(13(3)4)9-10-19-16/h13,15-17H,5-12H2,1-4H3.
What are the key properties of 3-methylidene-1-(4-propan-2-ylmorpholin-2-yl)-N-propylpentan-1-amine?
3-methylidene-1-(4-propan-2-ylmorpholin-2-yl)-N-propylpentan-1-amine has a molecular weight of 268.44 g/mol, XLogP of 2.82, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-1-(4-propan-2-ylmorpholin-2-yl)-N-propylpentan-1-amine is sourced from PubChem (CID 79664074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).