1-(4-tert-butylphenyl)-N,N'-dimethyl-N'-(2-methylbutan-2-yl)ethane-1,2-diamine

C19H34N2 — CID 63981431

IUPAC1-(4-tert-butylphenyl)-N,N'-dimethyl-N'-(2-methylbutan-2-yl)ethane-1,2-diamine
SMILESCCC(C)(C)N(C)CC(NC)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H34N2/c1-9-19(5,6)21(8)14-17(20-7)15-10-12-16(13-11-15)18(2,3)4/h10-13,17,20H,9,14H2,1-8H3
InChIKeyXLHYPUWLQYMPTK-UHFFFAOYSA-N
MW290.50 g/mol
LogP4.36
Rot. Bonds6

About 1-(4-tert-butylphenyl)-N,N'-dimethyl-N'-(2-methylbutan-2-yl)ethane-1,2-diamine

1-(4-tert-butylphenyl)-N,N'-dimethyl-N'-(2-methylbutan-2-yl)ethane-1,2-diamine (PubChem CID 63981431) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-N,N'-dimethyl-N'-(2-methylbutan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-N,N'-dimethyl-N'-(2-methylbutan-2-yl)ethane-1,2-diamine
PubChem CID63981431
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC Name1-(4-tert-butylphenyl)-N,N'-dimethyl-N'-(2-methylbutan-2-yl)ethane-1,2-diamine
SMILESCCC(C)(C)N(C)CC(NC)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H34N2/c1-9-19(5,6)21(8)14-17(20-7)15-10-12-16(13-11-15)18(2,3)4/h10-13,17,20H,9,14H2,1-8H3
InChIKeyXLHYPUWLQYMPTK-UHFFFAOYSA-N
XLogP4.36
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.50
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-tert-butylphenyl)-N,N'-dimethyl-N'-(2-methylbutan-2-yl)ethane-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

N,N'-dimethyl-N'-(2-methylbutan-2-yl)-1-(4-methylphenyl)ethane-1,2-diamine
CID 63980995
N,N'-dimethyl-N'-(2-methylbutan-2-yl)-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 63981433
1-(4-fluorophenyl)-N,N'-dimethyl-N'-(2-methylbutan-2-yl)propane-1,3-diamine
CID 63965642
1-(4-tert-butylphenyl)-N-methylpentan-1-amine
CID 43484403
1-(4-tert-butylphenyl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine
CID 115842628
1-(4-tert-butylphenyl)-N-methyl-2-(2-methylbutylsulfanyl)ethanamine
CID 107763794
1-(4-tert-butylphenyl)-1-N,2-N,2-N,2-tetramethylpropane-1,2-diamine
CID 79052895
1-(4-tert-butylphenyl)-2-hexoxy-N-methylethanamine
CID 63475997
N'-(3,3-dimethylbutan-2-yl)-N,N'-dimethyl-1-(4-propylphenyl)ethane-1,2-diamine
CID 63469443
2-(4-tert-butylphenyl)-2-chloro-N,N-diethylethanamine
CID 82214707
1-(4-tert-butylphenyl)-N'-ethyl-N,N-dimethylethane-1,2-diamine
CID 116905850
1-(4-tert-butylphenyl)-1-N-methylpropane-1,2-diamine
CID 116948029

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-N,N'-dimethyl-N'-(2-methylbutan-2-yl)ethane-1,2-diamine?
The IUPAC name of 1-(4-tert-butylphenyl)-N,N'-dimethyl-N'-(2-methylbutan-2-yl)ethane-1,2-diamine (CID 63981431) is 1-(4-tert-butylphenyl)-N,N'-dimethyl-N'-(2-methylbutan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-(4-tert-butylphenyl)-N,N'-dimethyl-N'-(2-methylbutan-2-yl)ethane-1,2-diamine?
The canonical SMILES for 1-(4-tert-butylphenyl)-N,N'-dimethyl-N'-(2-methylbutan-2-yl)ethane-1,2-diamine is CCC(C)(C)N(C)CC(NC)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-N,N'-dimethyl-N'-(2-methylbutan-2-yl)ethane-1,2-diamine?
The InChIKey is XLHYPUWLQYMPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c1-9-19(5,6)21(8)14-17(20-7)15-10-12-16(13-11-15)18(2,3)4/h10-13,17,20H,9,14H2,1-8H3.
What are the key properties of 1-(4-tert-butylphenyl)-N,N'-dimethyl-N'-(2-methylbutan-2-yl)ethane-1,2-diamine?
1-(4-tert-butylphenyl)-N,N'-dimethyl-N'-(2-methylbutan-2-yl)ethane-1,2-diamine has a molecular weight of 290.50 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-N,N'-dimethyl-N'-(2-methylbutan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 63981431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).