ethane;N-methyl-2-(2-methylpropyl)-N-propylaniline

C16H29N — CID 144845826

IUPACethane;N-methyl-2-(2-methylpropyl)-N-propylaniline
SMILESCC.CCCN(C)c1ccccc1CC(C)C
InChIInChI=1S/C14H23N.C2H6/c1-5-10-15(4)14-9-7-6-8-13(14)11-12(2)3;1-2/h6-9,12H,5,10-11H2,1-4H3;1-2H3
InChIKeyIUQHPSVTLWLOEH-UHFFFAOYSA-N
MW235.41 g/mol
LogP4.76
Rot. Bonds5

About ethane;N-methyl-2-(2-methylpropyl)-N-propylaniline

ethane;N-methyl-2-(2-methylpropyl)-N-propylaniline (PubChem CID 144845826) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is ethane;N-methyl-2-(2-methylpropyl)-N-propylaniline.

Molecular Properties

Compound Nameethane;N-methyl-2-(2-methylpropyl)-N-propylaniline
PubChem CID144845826
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC Nameethane;N-methyl-2-(2-methylpropyl)-N-propylaniline
SMILESCC.CCCN(C)c1ccccc1CC(C)C
InChIInChI=1S/C14H23N.C2H6/c1-5-10-15(4)14-9-7-6-8-13(14)11-12(2)3;1-2/h6-9,12H,5,10-11H2,1-4H3;1-2H3
InChIKeyIUQHPSVTLWLOEH-UHFFFAOYSA-N
XLogP4.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.41
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze ethane;N-methyl-2-(2-methylpropyl)-N-propylaniline 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 ethane;N-methyl-2-(2-methylpropyl)-N-propylaniline?
The IUPAC name of ethane;N-methyl-2-(2-methylpropyl)-N-propylaniline (CID 144845826) is ethane;N-methyl-2-(2-methylpropyl)-N-propylaniline.
What is the SMILES notation for ethane;N-methyl-2-(2-methylpropyl)-N-propylaniline?
The canonical SMILES for ethane;N-methyl-2-(2-methylpropyl)-N-propylaniline is CC.CCCN(C)c1ccccc1CC(C)C.
What is the InChIKey of ethane;N-methyl-2-(2-methylpropyl)-N-propylaniline?
The InChIKey is IUQHPSVTLWLOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N.C2H6/c1-5-10-15(4)14-9-7-6-8-13(14)11-12(2)3;1-2/h6-9,12H,5,10-11H2,1-4H3;1-2H3.
What are the key properties of ethane;N-methyl-2-(2-methylpropyl)-N-propylaniline?
ethane;N-methyl-2-(2-methylpropyl)-N-propylaniline has a molecular weight of 235.41 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-2-(2-methylpropyl)-N-propylaniline is sourced from PubChem (CID 144845826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).