N'-methyl-N'-(2-methylbutyl)-N-(3-methylphenyl)ethane-1,2-diamine

C15H26N2 — CID 62560569

IUPACN'-methyl-N'-(2-methylbutyl)-N-(3-methylphenyl)ethane-1,2-diamine
SMILESCCC(C)CN(C)CCNc1cccc(C)c1
InChIInChI=1S/C15H26N2/c1-5-13(2)12-17(4)10-9-16-15-8-6-7-14(3)11-15/h6-8,11,13,16H,5,9-10,12H2,1-4H3
InChIKeyRONFTJAIYSJDDY-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.38
Rot. Bonds7

About N'-methyl-N'-(2-methylbutyl)-N-(3-methylphenyl)ethane-1,2-diamine

N'-methyl-N'-(2-methylbutyl)-N-(3-methylphenyl)ethane-1,2-diamine (PubChem CID 62560569) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N'-methyl-N'-(2-methylbutyl)-N-(3-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-(2-methylbutyl)-N-(3-methylphenyl)ethane-1,2-diamine
PubChem CID62560569
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN'-methyl-N'-(2-methylbutyl)-N-(3-methylphenyl)ethane-1,2-diamine
SMILESCCC(C)CN(C)CCNc1cccc(C)c1
InChIInChI=1S/C15H26N2/c1-5-13(2)12-17(4)10-9-16-15-8-6-7-14(3)11-15/h6-8,11,13,16H,5,9-10,12H2,1-4H3
InChIKeyRONFTJAIYSJDDY-UHFFFAOYSA-N
XLogP3.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-butan-2-yl-N'-ethyl-N-(3-methylphenyl)ethane-1,2-diamine
CID 62561849
3-methyl-N-(2-methylbutyl)aniline
CID 43103774
2-N-ethyl-1-N,1-N-dimethyl-2-N-[2-(3-methylanilino)ethyl]propane-1,2-diamine
CID 103191842
N'-methyl-N-(3-methylphenyl)-N'-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 112666020
N'-(cyclopropylmethyl)-N'-methyl-N-(3-methylphenyl)ethane-1,2-diamine
CID 62561610
N'-ethyl-N-(3-methylphenyl)-N'-propylethane-1,2-diamine
CID 62575820
N'-(3,5-dimethylphenyl)-N'-methyl-N-(3-methylphenyl)ethane-1,2-diamine
CID 63501684
N'-methyl-N-(3-methylphenyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62560213
N'-butan-2-yl-N'-ethyl-N-(3-methylphenyl)pentane-1,5-diamine
CID 20728490
N'-methyl-N'-(2-methylbutyl)-1-(3-methylphenyl)ethane-1,2-diamine
CID 61308743
N'-ethyl-N,N-dimethyl-N'-[2-(3-methylanilino)ethyl]propane-1,3-diamine
CID 102997765
N'-methyl-N'-[(2-methylfuran-3-yl)methyl]-N-(3-methylphenyl)ethane-1,2-diamine
CID 62558100

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-(2-methylbutyl)-N-(3-methylphenyl)ethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-(2-methylbutyl)-N-(3-methylphenyl)ethane-1,2-diamine (CID 62560569) is N'-methyl-N'-(2-methylbutyl)-N-(3-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-(2-methylbutyl)-N-(3-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-(2-methylbutyl)-N-(3-methylphenyl)ethane-1,2-diamine is CCC(C)CN(C)CCNc1cccc(C)c1.
What is the InChIKey of N'-methyl-N'-(2-methylbutyl)-N-(3-methylphenyl)ethane-1,2-diamine?
The InChIKey is RONFTJAIYSJDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-5-13(2)12-17(4)10-9-16-15-8-6-7-14(3)11-15/h6-8,11,13,16H,5,9-10,12H2,1-4H3.
What are the key properties of N'-methyl-N'-(2-methylbutyl)-N-(3-methylphenyl)ethane-1,2-diamine?
N'-methyl-N'-(2-methylbutyl)-N-(3-methylphenyl)ethane-1,2-diamine has a molecular weight of 234.39 g/mol, XLogP of 3.38, 7 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)-N-(3-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 62560569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).