2-N,3-dimethyl-2-N-(4-methylpentyl)benzene-1,2-diamine

C14H24N2 — CID 115126142

IUPAC2-N,3-dimethyl-2-N-(4-methylpentyl)benzene-1,2-diamine
SMILESCc1cccc(N)c1N(C)CCCC(C)C
InChIInChI=1S/C14H24N2/c1-11(2)7-6-10-16(4)14-12(3)8-5-9-13(14)15/h5,8-9,11H,6-7,10,15H2,1-4H3
InChIKeyOFSICGWKKPXWJJ-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.45
Rot. Bonds5

About 2-N,3-dimethyl-2-N-(4-methylpentyl)benzene-1,2-diamine

2-N,3-dimethyl-2-N-(4-methylpentyl)benzene-1,2-diamine (PubChem CID 115126142) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 2-N,3-dimethyl-2-N-(4-methylpentyl)benzene-1,2-diamine.

Molecular Properties

Compound Name2-N,3-dimethyl-2-N-(4-methylpentyl)benzene-1,2-diamine
PubChem CID115126142
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name2-N,3-dimethyl-2-N-(4-methylpentyl)benzene-1,2-diamine
SMILESCc1cccc(N)c1N(C)CCCC(C)C
InChIInChI=1S/C14H24N2/c1-11(2)7-6-10-16(4)14-12(3)8-5-9-13(14)15/h5,8-9,11H,6-7,10,15H2,1-4H3
InChIKeyOFSICGWKKPXWJJ-UHFFFAOYSA-N
XLogP3.45
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-N-ethyl-2-N,3-dimethylbenzene-1,2-diamine
CID 115550058
2-N,3-dimethyl-2-N-[2-(1H-pyrrol-3-yl)ethyl]benzene-1,2-diamine
CID 115126153
N'-(2,6-dimethylphenyl)-N'-methylbutane-1,4-diamine
CID 94255608
2-N-(2-cyclohexylethyl)-2-N,3-dimethylbenzene-1,2-diamine
CID 115126165
N'-(2,6-dimethylphenyl)-N'-methylethane-1,2-diamine
CID 19855595
3-methyl-2-N,2-N-dipropylbenzene-1,2-diamine
CID 115549884
2-N-cyclopentyl-3-methyl-2-N-(2-methylpropyl)benzene-1,2-diamine
CID 113333796
2-N-[(2-bromophenyl)methyl]-2-N,3-dimethylbenzene-1,2-diamine
CID 113333707
2-N-[1-(4-chlorophenyl)ethyl]-2-N,3-dimethylbenzene-1,2-diamine
CID 115550477
2-(aminomethyl)-N,6-dimethyl-N-(2-methylpropyl)aniline
CID 107105504
2-N-[(4-methoxyphenyl)methyl]-2-N,3-dimethylbenzene-1,2-diamine
CID 115550202
1-N,3-N-dimethyl-3-N-(4-methylpentyl)benzene-1,3-diamine
CID 117041155

Frequently Asked Questions

What is the IUPAC name of 2-N,3-dimethyl-2-N-(4-methylpentyl)benzene-1,2-diamine?
The IUPAC name of 2-N,3-dimethyl-2-N-(4-methylpentyl)benzene-1,2-diamine (CID 115126142) is 2-N,3-dimethyl-2-N-(4-methylpentyl)benzene-1,2-diamine.
What is the SMILES notation for 2-N,3-dimethyl-2-N-(4-methylpentyl)benzene-1,2-diamine?
The canonical SMILES for 2-N,3-dimethyl-2-N-(4-methylpentyl)benzene-1,2-diamine is Cc1cccc(N)c1N(C)CCCC(C)C.
What is the InChIKey of 2-N,3-dimethyl-2-N-(4-methylpentyl)benzene-1,2-diamine?
The InChIKey is OFSICGWKKPXWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-11(2)7-6-10-16(4)14-12(3)8-5-9-13(14)15/h5,8-9,11H,6-7,10,15H2,1-4H3.
What are the key properties of 2-N,3-dimethyl-2-N-(4-methylpentyl)benzene-1,2-diamine?
2-N,3-dimethyl-2-N-(4-methylpentyl)benzene-1,2-diamine has a molecular weight of 220.36 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3-dimethyl-2-N-(4-methylpentyl)benzene-1,2-diamine is sourced from PubChem (CID 115126142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).