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

C15H31NO — CID 55107237

IUPAC2-methyl-N-(2-methylpropyl)-2-(oxan-4-ylmethyl)butan-1-amine
SMILESCCC(C)(CNCC(C)C)CC1CCOCC1
InChIInChI=1S/C15H31NO/c1-5-15(4,12-16-11-13(2)3)10-14-6-8-17-9-7-14/h13-14,16H,5-12H2,1-4H3
InChIKeyHZYVDDDZSLTIBE-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.46
Rot. Bonds7

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

2-methyl-N-(2-methylpropyl)-2-(oxan-4-ylmethyl)butan-1-amine (PubChem CID 55107237) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 2-methyl-N-(2-methylpropyl)-2-(oxan-4-ylmethyl)butan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(2-methylpropyl)-2-(oxan-4-ylmethyl)butan-1-amine
PubChem CID55107237
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name2-methyl-N-(2-methylpropyl)-2-(oxan-4-ylmethyl)butan-1-amine
SMILESCCC(C)(CNCC(C)C)CC1CCOCC1
InChIInChI=1S/C15H31NO/c1-5-15(4,12-16-11-13(2)3)10-14-6-8-17-9-7-14/h13-14,16H,5-12H2,1-4H3
InChIKeyHZYVDDDZSLTIBE-UHFFFAOYSA-N
XLogP3.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-N-(2-methylpropyl)-2-(oxan-4-ylmethyl)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 2-methyl-N-(2-methylpropyl)-2-(oxan-4-ylmethyl)butan-1-amine?
The IUPAC name of 2-methyl-N-(2-methylpropyl)-2-(oxan-4-ylmethyl)butan-1-amine (CID 55107237) is 2-methyl-N-(2-methylpropyl)-2-(oxan-4-ylmethyl)butan-1-amine.
What is the SMILES notation for 2-methyl-N-(2-methylpropyl)-2-(oxan-4-ylmethyl)butan-1-amine?
The canonical SMILES for 2-methyl-N-(2-methylpropyl)-2-(oxan-4-ylmethyl)butan-1-amine is CCC(C)(CNCC(C)C)CC1CCOCC1.
What is the InChIKey of 2-methyl-N-(2-methylpropyl)-2-(oxan-4-ylmethyl)butan-1-amine?
The InChIKey is HZYVDDDZSLTIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-5-15(4,12-16-11-13(2)3)10-14-6-8-17-9-7-14/h13-14,16H,5-12H2,1-4H3.
What are the key properties of 2-methyl-N-(2-methylpropyl)-2-(oxan-4-ylmethyl)butan-1-amine?
2-methyl-N-(2-methylpropyl)-2-(oxan-4-ylmethyl)butan-1-amine has a molecular weight of 241.42 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylpropyl)-2-(oxan-4-ylmethyl)butan-1-amine is sourced from PubChem (CID 55107237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).