3-N,3-N,4-trimethylbenzene-1,3-diamine

C9H14N2 — CID 838511

IUPAC3-N,3-N,4-trimethylbenzene-1,3-diamine
SMILESCc1ccc(N)cc1N(C)C
InChIInChI=1S/C9H14N2/c1-7-4-5-8(10)6-9(7)11(2)3/h4-6H,10H2,1-3H3
InChIKeyBZFRCCRHMACPGO-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.64
Rot. Bonds1

About 3-N,3-N,4-trimethylbenzene-1,3-diamine

3-N,3-N,4-trimethylbenzene-1,3-diamine (PubChem CID 838511) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 3-N,3-N,4-trimethylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N,3-N,4-trimethylbenzene-1,3-diamine
PubChem CID838511
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name3-N,3-N,4-trimethylbenzene-1,3-diamine
SMILESCc1ccc(N)cc1N(C)C
InChIInChI=1S/C9H14N2/c1-7-4-5-8(10)6-9(7)11(2)3/h4-6H,10H2,1-3H3
InChIKeyBZFRCCRHMACPGO-UHFFFAOYSA-N
XLogP1.64
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.64
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,2-N,3-trimethylnaphthalene-2,6-diamine
CID 139621315
1-N-(3-aminophenyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 113297487
N-(5-amino-2-methylphenyl)-N-formylformamide
CID 57351652
1-N-(4-amino-2-fluorophenyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 115376263
3-N-(2-fluorophenyl)-3-N,4-dimethylbenzene-1,3-diamine
CID 55091797
2-(5-amino-N,2-dimethylanilino)propan-1-ol
CID 104551168
4-(4-aminophenyl)-3-N,3-N-dimethylbenzene-1,3-diamine
CID 19009144
2,4-diamino-N-[3-(dimethylamino)-4-methylphenyl]benzamide
CID 115375793
3-N-ethyl-3-N-methoxy-4-methylbenzene-1,3-diamine
CID 130512909
3-N,3-N-dimethyl-4-(trifluoromethyl)benzene-1,3-diamine
CID 97301750
4-amino-N-[3-(dimethylamino)-4-methylphenyl]-2-fluorobenzamide
CID 115375795
4-methyl-3-N-(2-methylpropyl)-3-N-propan-2-ylbenzene-1,3-diamine
CID 62590529

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N,4-trimethylbenzene-1,3-diamine?
The IUPAC name of 3-N,3-N,4-trimethylbenzene-1,3-diamine (CID 838511) is 3-N,3-N,4-trimethylbenzene-1,3-diamine.
What is the SMILES notation for 3-N,3-N,4-trimethylbenzene-1,3-diamine?
The canonical SMILES for 3-N,3-N,4-trimethylbenzene-1,3-diamine is Cc1ccc(N)cc1N(C)C.
What is the InChIKey of 3-N,3-N,4-trimethylbenzene-1,3-diamine?
The InChIKey is BZFRCCRHMACPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-7-4-5-8(10)6-9(7)11(2)3/h4-6H,10H2,1-3H3.
What are the key properties of 3-N,3-N,4-trimethylbenzene-1,3-diamine?
3-N,3-N,4-trimethylbenzene-1,3-diamine has a molecular weight of 150.22 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N,4-trimethylbenzene-1,3-diamine is sourced from PubChem (CID 838511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).