3-methyl-N-(2-methylpropyl)-2-(oxan-4-ylmethylidene)butan-1-amine

C15H29NO — CID 79339927

IUPAC3-methyl-N-(2-methylpropyl)-2-(oxan-4-ylmethylidene)butan-1-amine
SMILESCC(C)CNCC(=CC1CCOCC1)C(C)C
InChIInChI=1S/C15H29NO/c1-12(2)10-16-11-15(13(3)4)9-14-5-7-17-8-6-14/h9,12-14,16H,5-8,10-11H2,1-4H3
InChIKeyUIEXEPQTZCQCCT-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.24
Rot. Bonds6

About 3-methyl-N-(2-methylpropyl)-2-(oxan-4-ylmethylidene)butan-1-amine

3-methyl-N-(2-methylpropyl)-2-(oxan-4-ylmethylidene)butan-1-amine (PubChem CID 79339927) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 3-methyl-N-(2-methylpropyl)-2-(oxan-4-ylmethylidene)butan-1-amine.

Molecular Properties

Compound Name3-methyl-N-(2-methylpropyl)-2-(oxan-4-ylmethylidene)butan-1-amine
PubChem CID79339927
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name3-methyl-N-(2-methylpropyl)-2-(oxan-4-ylmethylidene)butan-1-amine
SMILESCC(C)CNCC(=CC1CCOCC1)C(C)C
InChIInChI=1S/C15H29NO/c1-12(2)10-16-11-15(13(3)4)9-14-5-7-17-8-6-14/h9,12-14,16H,5-8,10-11H2,1-4H3
InChIKeyUIEXEPQTZCQCCT-UHFFFAOYSA-N
XLogP3.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-methyl-N-(2-methylpropyl)-2-(oxan-4-ylmethylidene)butan-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

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methylpropyl)-2-(oxan-4-ylmethylidene)butan-1-amine?
The IUPAC name of 3-methyl-N-(2-methylpropyl)-2-(oxan-4-ylmethylidene)butan-1-amine (CID 79339927) is 3-methyl-N-(2-methylpropyl)-2-(oxan-4-ylmethylidene)butan-1-amine.
What is the SMILES notation for 3-methyl-N-(2-methylpropyl)-2-(oxan-4-ylmethylidene)butan-1-amine?
The canonical SMILES for 3-methyl-N-(2-methylpropyl)-2-(oxan-4-ylmethylidene)butan-1-amine is CC(C)CNCC(=CC1CCOCC1)C(C)C.
What is the InChIKey of 3-methyl-N-(2-methylpropyl)-2-(oxan-4-ylmethylidene)butan-1-amine?
The InChIKey is UIEXEPQTZCQCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-12(2)10-16-11-15(13(3)4)9-14-5-7-17-8-6-14/h9,12-14,16H,5-8,10-11H2,1-4H3.
What are the key properties of 3-methyl-N-(2-methylpropyl)-2-(oxan-4-ylmethylidene)butan-1-amine?
3-methyl-N-(2-methylpropyl)-2-(oxan-4-ylmethylidene)butan-1-amine has a molecular weight of 239.40 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methylpropyl)-2-(oxan-4-ylmethylidene)butan-1-amine is sourced from PubChem (CID 79339927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).