1-N,2-N,2-N-trimethylbenzene-1,2-diamine

C9H14N2 — CID 533455

IUPAC1-N,2-N,2-N-trimethylbenzene-1,2-diamine
SMILESCNc1ccccc1N(C)C
InChIInChI=1S/C9H14N2/c1-10-8-6-4-5-7-9(8)11(2)3/h4-7,10H,1-3H3
InChIKeyBXBFTMKSQSKHMF-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.79
Rot. Bonds2

About 1-N,2-N,2-N-trimethylbenzene-1,2-diamine

1-N,2-N,2-N-trimethylbenzene-1,2-diamine (PubChem CID 533455) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 1-N,2-N,2-N-trimethylbenzene-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N,2-N-trimethylbenzene-1,2-diamine
PubChem CID533455
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name1-N,2-N,2-N-trimethylbenzene-1,2-diamine
SMILESCNc1ccccc1N(C)C
InChIInChI=1S/C9H14N2/c1-10-8-6-4-5-7-9(8)11(2)3/h4-7,10H,1-3H3
InChIKeyBXBFTMKSQSKHMF-UHFFFAOYSA-N
XLogP1.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,2-N-dimethyl-2-N-[2-(methylamino)phenyl]benzene-1,2-diamine
CID 22968799
2-ethylaniline;1-N,2-N,2-N-trimethylbenzene-1,2-diamine
CID 161139066
2-[[2-(dimethylamino)phenyl]-[2-(methylamino)phenyl]phosphanyl]-N-methylaniline
CID 158394511
1,1,3-trimethyl-3-[2-(methylamino)phenyl]thiourea
CID 54120941
2-(dimethylamino)-6-(methylamino)benzoic acid
CID 18173452
1-N-(2,6-dimethylphenyl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 23597994
1-N-butyl-2-N,2-N-dimethylbenzene-1,2-diamine
CID 43726650
1-N-cyclopentyl-2-N,2-N-dimethylbenzene-1,2-diamine
CID 43726461
3-[anilino(methyl)amino]-1-N,2-N,2-N-trimethylbenzene-1,2-diamine
CID 141340029
1-N-[1-(furan-2-yl)ethyl]-2-N,2-N-dimethylbenzene-1,2-diamine
CID 43726592
2-[2-(dimethylamino)anilino]-N-methylpropanamide
CID 106759655
2-[[2-(dimethylamino)anilino]methyl]phenol
CID 43726496

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N,2-N-trimethylbenzene-1,2-diamine?
The IUPAC name of 1-N,2-N,2-N-trimethylbenzene-1,2-diamine (CID 533455) is 1-N,2-N,2-N-trimethylbenzene-1,2-diamine.
What is the SMILES notation for 1-N,2-N,2-N-trimethylbenzene-1,2-diamine?
The canonical SMILES for 1-N,2-N,2-N-trimethylbenzene-1,2-diamine is CNc1ccccc1N(C)C.
What is the InChIKey of 1-N,2-N,2-N-trimethylbenzene-1,2-diamine?
The InChIKey is BXBFTMKSQSKHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-10-8-6-4-5-7-9(8)11(2)3/h4-7,10H,1-3H3.
What are the key properties of 1-N,2-N,2-N-trimethylbenzene-1,2-diamine?
1-N,2-N,2-N-trimethylbenzene-1,2-diamine has a molecular weight of 150.22 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N,2-N-trimethylbenzene-1,2-diamine is sourced from PubChem (CID 533455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).