2-N,4,6-trimethylbenzene-1,2,3-triamine

C9H15N3 — CID 163890734

IUPAC2-N,4,6-trimethylbenzene-1,2,3-triamine
SMILESCNc1c(N)c(C)cc(C)c1N
InChIInChI=1S/C9H15N3/c1-5-4-6(2)8(11)9(12-3)7(5)10/h4,12H,10-11H2,1-3H3
InChIKeyQBHKRUHHHNCFBS-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.51
Rot. Bonds1

About 2-N,4,6-trimethylbenzene-1,2,3-triamine

2-N,4,6-trimethylbenzene-1,2,3-triamine (PubChem CID 163890734) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 2-N,4,6-trimethylbenzene-1,2,3-triamine.

Molecular Properties

Compound Name2-N,4,6-trimethylbenzene-1,2,3-triamine
PubChem CID163890734
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name2-N,4,6-trimethylbenzene-1,2,3-triamine
SMILESCNc1c(N)c(C)cc(C)c1N
InChIInChI=1S/C9H15N3/c1-5-4-6(2)8(11)9(12-3)7(5)10/h4,12H,10-11H2,1-3H3
InChIKeyQBHKRUHHHNCFBS-UHFFFAOYSA-N
XLogP1.51
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-N,4-dimethylbenzene-1,2,3-triamine
CID 54012745
2,3,5,6-tetramethylaniline
CID 3456097
2,3,4,6-tetramethylaniline;hydrochloride
CID 173462147
2,3,5-trimethylbenzene-1,4-diamine;hydrochloride
CID 87071564
3,6-dimethylbenzene-1,2-diamine;2,4,6-trimethylbenzene-1,3-diamine
CID 161457493
cobalt;2,4,6-trimethylaniline
CID 159454360
bis(4-(4-amino-3,5-dimethylphenyl)-2,6-dimethylaniline);dihydrochloride
CID 69109128
(3-amino-2,4,6-trimethylphenyl)azanium
CID 145475903
4-(4-amino-3,5-dimethylphenyl)-2,6-dimethylaniline;hydron;dichloride
CID 51066481
4-(2,6-dimethylphenyl)-2,6-dimethylaniline
CID 155131505
2-[(2-amino-3,5-dimethylphenyl)methyl]-4,6-dimethylaniline
CID 18699529
1-N,3-dimethyl-5-nitrobenzene-1,2-diamine
CID 175921943

Frequently Asked Questions

What is the IUPAC name of 2-N,4,6-trimethylbenzene-1,2,3-triamine?
The IUPAC name of 2-N,4,6-trimethylbenzene-1,2,3-triamine (CID 163890734) is 2-N,4,6-trimethylbenzene-1,2,3-triamine.
What is the SMILES notation for 2-N,4,6-trimethylbenzene-1,2,3-triamine?
The canonical SMILES for 2-N,4,6-trimethylbenzene-1,2,3-triamine is CNc1c(N)c(C)cc(C)c1N.
What is the InChIKey of 2-N,4,6-trimethylbenzene-1,2,3-triamine?
The InChIKey is QBHKRUHHHNCFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-5-4-6(2)8(11)9(12-3)7(5)10/h4,12H,10-11H2,1-3H3.
What are the key properties of 2-N,4,6-trimethylbenzene-1,2,3-triamine?
2-N,4,6-trimethylbenzene-1,2,3-triamine has a molecular weight of 165.24 g/mol, XLogP of 1.51, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4,6-trimethylbenzene-1,2,3-triamine is sourced from PubChem (CID 163890734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).