N'-methyl-N'-(2-methylbutyl)-1-(2-methylphenyl)ethane-1,2-diamine

C15H26N2 — CID 43295706

IUPACN'-methyl-N'-(2-methylbutyl)-1-(2-methylphenyl)ethane-1,2-diamine
SMILESCCC(C)CN(C)CC(N)c1ccccc1C
InChIInChI=1S/C15H26N2/c1-5-12(2)10-17(4)11-15(16)14-9-7-6-8-13(14)3/h6-9,12,15H,5,10-11,16H2,1-4H3
InChIKeyHPEPDQDRTZMRKD-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.97
Rot. Bonds6

About N'-methyl-N'-(2-methylbutyl)-1-(2-methylphenyl)ethane-1,2-diamine

N'-methyl-N'-(2-methylbutyl)-1-(2-methylphenyl)ethane-1,2-diamine (PubChem CID 43295706) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N'-methyl-N'-(2-methylbutyl)-1-(2-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-(2-methylbutyl)-1-(2-methylphenyl)ethane-1,2-diamine
PubChem CID43295706
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN'-methyl-N'-(2-methylbutyl)-1-(2-methylphenyl)ethane-1,2-diamine
SMILESCCC(C)CN(C)CC(N)c1ccccc1C
InChIInChI=1S/C15H26N2/c1-5-12(2)10-17(4)11-15(16)14-9-7-6-8-13(14)3/h6-9,12,15H,5,10-11,16H2,1-4H3
InChIKeyHPEPDQDRTZMRKD-UHFFFAOYSA-N
XLogP2.97
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N'-methyl-N'-(2-methylbutyl)-1-(2-methylphenyl)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

1-(2-ethoxyphenyl)-N'-methyl-N'-(2-methylbutyl)ethane-1,2-diamine
CID 43295700
N',N'-dimethyl-1-(2-methylphenyl)ethane-1,2-diamine
CID 16782044
N'-methyl-N'-(4-methylpentan-2-yl)-1-(2-methylphenyl)ethane-1,2-diamine
CID 55001596
N'-methyl-1-(2-methylphenyl)-N'-(2-methylpropyl)propane-1,3-diamine
CID 62629061
N'-methyl-1-(2-methylphenyl)-N'-(2-methylsulfonylethyl)ethane-1,2-diamine
CID 79850524
N'-methyl-N'-(2-methylbutyl)-1-(3-methylphenyl)ethane-1,2-diamine
CID 61308743
N'-(1-cyclopropylethyl)-N'-methyl-1-(2-methylphenyl)ethane-1,2-diamine
CID 43569043
N'-methyl-N'-(2-methylbutyl)-1-naphthalen-2-ylethane-1,2-diamine
CID 43295722
N'-[1-(2-fluorophenyl)ethyl]-N'-methyl-1-(2-methylphenyl)ethane-1,2-diamine
CID 62979148
N'-ethyl-1-(2-methylphenyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 55011368
(1S)-4-methyl-1-(2-methylphenyl)pentan-1-amine;hydrochloride
CID 171229467
2-(1-aminoethyl)-N-methyl-N-(2-methylbutyl)aniline
CID 43295960

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-(2-methylbutyl)-1-(2-methylphenyl)ethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-(2-methylbutyl)-1-(2-methylphenyl)ethane-1,2-diamine (CID 43295706) is N'-methyl-N'-(2-methylbutyl)-1-(2-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-(2-methylbutyl)-1-(2-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-(2-methylbutyl)-1-(2-methylphenyl)ethane-1,2-diamine is CCC(C)CN(C)CC(N)c1ccccc1C.
What is the InChIKey of N'-methyl-N'-(2-methylbutyl)-1-(2-methylphenyl)ethane-1,2-diamine?
The InChIKey is HPEPDQDRTZMRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-5-12(2)10-17(4)11-15(16)14-9-7-6-8-13(14)3/h6-9,12,15H,5,10-11,16H2,1-4H3.
What are the key properties of N'-methyl-N'-(2-methylbutyl)-1-(2-methylphenyl)ethane-1,2-diamine?
N'-methyl-N'-(2-methylbutyl)-1-(2-methylphenyl)ethane-1,2-diamine has a molecular weight of 234.39 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-(2-methylbutyl)-1-(2-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 43295706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).