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

C16H28N2 — CID 63980995

IUPACN,N'-dimethyl-N'-(2-methylbutan-2-yl)-1-(4-methylphenyl)ethane-1,2-diamine
SMILESCCC(C)(C)N(C)CC(NC)c1ccc(C)cc1
InChIInChI=1S/C16H28N2/c1-7-16(3,4)18(6)12-15(17-5)14-10-8-13(2)9-11-14/h8-11,15,17H,7,12H2,1-6H3
InChIKeyBYHTXAOROSWTBA-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.38
Rot. Bonds6

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

N,N'-dimethyl-N'-(2-methylbutan-2-yl)-1-(4-methylphenyl)ethane-1,2-diamine (PubChem CID 63980995) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is N,N'-dimethyl-N'-(2-methylbutan-2-yl)-1-(4-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N'-(2-methylbutan-2-yl)-1-(4-methylphenyl)ethane-1,2-diamine
PubChem CID63980995
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC NameN,N'-dimethyl-N'-(2-methylbutan-2-yl)-1-(4-methylphenyl)ethane-1,2-diamine
SMILESCCC(C)(C)N(C)CC(NC)c1ccc(C)cc1
InChIInChI=1S/C16H28N2/c1-7-16(3,4)18(6)12-15(17-5)14-10-8-13(2)9-11-14/h8-11,15,17H,7,12H2,1-6H3
InChIKeyBYHTXAOROSWTBA-UHFFFAOYSA-N
XLogP3.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-tert-butylphenyl)-N,N'-dimethyl-N'-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 63981431
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
N'-ethyl-N'-(2-ethylbutyl)-N-methyl-1-(4-methylphenyl)ethane-1,2-diamine
CID 63469942
(1S)-2-fluoro-N-methyl-1-(4-methylphenyl)ethanamine
CID 90212789
N'-ethyl-N-methyl-N'-(2-methylbutyl)-1-(4-methylphenyl)ethane-1,2-diamine
CID 79477638
1-(2,4-dimethylphenyl)-N'-methyl-N'-(2-methylbutan-2-yl)-N-propylethane-1,2-diamine
CID 63982501
2-ethyl-1-N,2-N,2-N-trimethyl-1-(4-methylphenyl)butane-1,2-diamine
CID 79061588
2-tert-butylsulfinyl-N-methyl-1-(4-methylphenyl)ethanamine
CID 64652155
N-methyl-1-(4-methylphenyl)hexan-1-amine
CID 43481744
N'-(2-methoxyethyl)-N-methyl-1-(4-methylphenyl)-N'-propan-2-ylethane-1,2-diamine
CID 82949092
N,N'-dimethyl-N'-(4-methylpentan-2-yl)-1-(4-methylphenyl)propane-1,3-diamine
CID 62619308

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N'-(2-methylbutan-2-yl)-1-(4-methylphenyl)ethane-1,2-diamine?
The IUPAC name of N,N'-dimethyl-N'-(2-methylbutan-2-yl)-1-(4-methylphenyl)ethane-1,2-diamine (CID 63980995) is N,N'-dimethyl-N'-(2-methylbutan-2-yl)-1-(4-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N,N'-dimethyl-N'-(2-methylbutan-2-yl)-1-(4-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for N,N'-dimethyl-N'-(2-methylbutan-2-yl)-1-(4-methylphenyl)ethane-1,2-diamine is CCC(C)(C)N(C)CC(NC)c1ccc(C)cc1.
What is the InChIKey of N,N'-dimethyl-N'-(2-methylbutan-2-yl)-1-(4-methylphenyl)ethane-1,2-diamine?
The InChIKey is BYHTXAOROSWTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-7-16(3,4)18(6)12-15(17-5)14-10-8-13(2)9-11-14/h8-11,15,17H,7,12H2,1-6H3.
What are the key properties of N,N'-dimethyl-N'-(2-methylbutan-2-yl)-1-(4-methylphenyl)ethane-1,2-diamine?
N,N'-dimethyl-N'-(2-methylbutan-2-yl)-1-(4-methylphenyl)ethane-1,2-diamine has a molecular weight of 248.41 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N'-(2-methylbutan-2-yl)-1-(4-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 63980995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).