2-N-butyl-1-(4-ethylphenyl)-2-N-methyl-1-N-propylpropane-1,2-diamine

C19H34N2 — CID 63465492

IUPAC2-N-butyl-1-(4-ethylphenyl)-2-N-methyl-1-N-propylpropane-1,2-diamine
SMILESCCCCN(C)C(C)C(NCCC)c1ccc(CC)cc1
InChIInChI=1S/C19H34N2/c1-6-9-15-21(5)16(4)19(20-14-7-2)18-12-10-17(8-3)11-13-18/h10-13,16,19-20H,6-9,14-15H2,1-5H3
InChIKeyZDWQVVWSUJOTLG-UHFFFAOYSA-N
MW290.50 g/mol
LogP4.41
Rot. Bonds10

About 2-N-butyl-1-(4-ethylphenyl)-2-N-methyl-1-N-propylpropane-1,2-diamine

2-N-butyl-1-(4-ethylphenyl)-2-N-methyl-1-N-propylpropane-1,2-diamine (PubChem CID 63465492) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is 2-N-butyl-1-(4-ethylphenyl)-2-N-methyl-1-N-propylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-butyl-1-(4-ethylphenyl)-2-N-methyl-1-N-propylpropane-1,2-diamine
PubChem CID63465492
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC Name2-N-butyl-1-(4-ethylphenyl)-2-N-methyl-1-N-propylpropane-1,2-diamine
SMILESCCCCN(C)C(C)C(NCCC)c1ccc(CC)cc1
InChIInChI=1S/C19H34N2/c1-6-9-15-21(5)16(4)19(20-14-7-2)18-12-10-17(8-3)11-13-18/h10-13,16,19-20H,6-9,14-15H2,1-5H3
InChIKeyZDWQVVWSUJOTLG-UHFFFAOYSA-N
XLogP4.41
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.50
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-N-butyl-1-(4-ethylphenyl)-2-N-methyl-1-N-propylpropane-1,2-diamine 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

2-N-butyl-1-N-ethyl-1-(4-ethylphenyl)-2-N-methylpropane-1,2-diamine
CID 63465127
N-[1-(4-ethylphenyl)ethyl]-N-methylpentan-1-amine
CID 143844338
N-[1-(4-ethylphenyl)ethyl]propan-1-amine
CID 43185208
2-N-(2,2-dimethylpropyl)-2-N-methyl-1-(4-methylphenyl)-1-N-propylpropane-1,2-diamine
CID 63468182
1-(4-ethylphenyl)-2-N-methyl-2-N-propylpropane-1,2-diamine
CID 43309968
2-N-methyl-2-N-pentyl-1-phenyl-1-N-propylbutane-1,2-diamine
CID 63469362
N-[1-(4-ethylphenyl)ethyl]pentan-1-amine
CID 43080427
2-N-methyl-2-N-[(2-methylcyclopropyl)methyl]-1-(4-methylphenyl)-1-N-propylpropane-1,2-diamine
CID 63866567
2-N,2-N-dibutyl-1-(4-ethylphenyl)propane-1,2-diamine
CID 43309942
1-N-ethyl-2-N-(3-methoxypropyl)-2-N-methyl-1-phenylpropane-1,2-diamine
CID 62984847
N-[1-(4-ethylphenyl)-2-methylpropyl]-3-methylbutan-1-amine
CID 43081080
1-(4-chlorophenyl)-2-methyl-N-propylhexan-1-amine
CID 114246234

Frequently Asked Questions

What is the IUPAC name of 2-N-butyl-1-(4-ethylphenyl)-2-N-methyl-1-N-propylpropane-1,2-diamine?
The IUPAC name of 2-N-butyl-1-(4-ethylphenyl)-2-N-methyl-1-N-propylpropane-1,2-diamine (CID 63465492) is 2-N-butyl-1-(4-ethylphenyl)-2-N-methyl-1-N-propylpropane-1,2-diamine.
What is the SMILES notation for 2-N-butyl-1-(4-ethylphenyl)-2-N-methyl-1-N-propylpropane-1,2-diamine?
The canonical SMILES for 2-N-butyl-1-(4-ethylphenyl)-2-N-methyl-1-N-propylpropane-1,2-diamine is CCCCN(C)C(C)C(NCCC)c1ccc(CC)cc1.
What is the InChIKey of 2-N-butyl-1-(4-ethylphenyl)-2-N-methyl-1-N-propylpropane-1,2-diamine?
The InChIKey is ZDWQVVWSUJOTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c1-6-9-15-21(5)16(4)19(20-14-7-2)18-12-10-17(8-3)11-13-18/h10-13,16,19-20H,6-9,14-15H2,1-5H3.
What are the key properties of 2-N-butyl-1-(4-ethylphenyl)-2-N-methyl-1-N-propylpropane-1,2-diamine?
2-N-butyl-1-(4-ethylphenyl)-2-N-methyl-1-N-propylpropane-1,2-diamine has a molecular weight of 290.50 g/mol, XLogP of 4.41, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butyl-1-(4-ethylphenyl)-2-N-methyl-1-N-propylpropane-1,2-diamine is sourced from PubChem (CID 63465492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).