3-methyl-N-(3-methylbutyl)-N-(oxolan-3-ylmethyl)butan-1-amine

C15H31NO — CID 58574426

IUPAC3-methyl-N-(3-methylbutyl)-N-(oxolan-3-ylmethyl)butan-1-amine
SMILESCC(C)CCN(CCC(C)C)CC1CCOC1
InChIInChI=1S/C15H31NO/c1-13(2)5-8-16(9-6-14(3)4)11-15-7-10-17-12-15/h13-15H,5-12H2,1-4H3
InChIKeyCGLZMTFRLHWYKI-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.42
Rot. Bonds8

About 3-methyl-N-(3-methylbutyl)-N-(oxolan-3-ylmethyl)butan-1-amine

3-methyl-N-(3-methylbutyl)-N-(oxolan-3-ylmethyl)butan-1-amine (PubChem CID 58574426) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 3-methyl-N-(3-methylbutyl)-N-(oxolan-3-ylmethyl)butan-1-amine.

Molecular Properties

Compound Name3-methyl-N-(3-methylbutyl)-N-(oxolan-3-ylmethyl)butan-1-amine
PubChem CID58574426
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name3-methyl-N-(3-methylbutyl)-N-(oxolan-3-ylmethyl)butan-1-amine
SMILESCC(C)CCN(CCC(C)C)CC1CCOC1
InChIInChI=1S/C15H31NO/c1-13(2)5-8-16(9-6-14(3)4)11-15-7-10-17-12-15/h13-15H,5-12H2,1-4H3
InChIKeyCGLZMTFRLHWYKI-UHFFFAOYSA-N
XLogP3.42
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-methyl-N-(3-methylbutyl)-N-(oxolan-3-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 3-methyl-N-(3-methylbutyl)-N-(oxolan-3-ylmethyl)butan-1-amine?
The IUPAC name of 3-methyl-N-(3-methylbutyl)-N-(oxolan-3-ylmethyl)butan-1-amine (CID 58574426) is 3-methyl-N-(3-methylbutyl)-N-(oxolan-3-ylmethyl)butan-1-amine.
What is the SMILES notation for 3-methyl-N-(3-methylbutyl)-N-(oxolan-3-ylmethyl)butan-1-amine?
The canonical SMILES for 3-methyl-N-(3-methylbutyl)-N-(oxolan-3-ylmethyl)butan-1-amine is CC(C)CCN(CCC(C)C)CC1CCOC1.
What is the InChIKey of 3-methyl-N-(3-methylbutyl)-N-(oxolan-3-ylmethyl)butan-1-amine?
The InChIKey is CGLZMTFRLHWYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-13(2)5-8-16(9-6-14(3)4)11-15-7-10-17-12-15/h13-15H,5-12H2,1-4H3.
What are the key properties of 3-methyl-N-(3-methylbutyl)-N-(oxolan-3-ylmethyl)butan-1-amine?
3-methyl-N-(3-methylbutyl)-N-(oxolan-3-ylmethyl)butan-1-amine has a molecular weight of 241.42 g/mol, XLogP of 3.42, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-methylbutyl)-N-(oxolan-3-ylmethyl)butan-1-amine is sourced from PubChem (CID 58574426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).