1-N,1-N,2,4-tetramethylbenzene-1,3-diamine

C10H16N2 — CID 66717231

IUPAC1-N,1-N,2,4-tetramethylbenzene-1,3-diamine
SMILESCc1ccc(N(C)C)c(C)c1N
InChIInChI=1S/C10H16N2/c1-7-5-6-9(12(3)4)8(2)10(7)11/h5-6H,11H2,1-4H3
InChIKeyICZPOMBZKROYIH-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.95
Rot. Bonds1

About 1-N,1-N,2,4-tetramethylbenzene-1,3-diamine

1-N,1-N,2,4-tetramethylbenzene-1,3-diamine (PubChem CID 66717231) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 1-N,1-N,2,4-tetramethylbenzene-1,3-diamine.

Molecular Properties

Compound Name1-N,1-N,2,4-tetramethylbenzene-1,3-diamine
PubChem CID66717231
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name1-N,1-N,2,4-tetramethylbenzene-1,3-diamine
SMILESCc1ccc(N(C)C)c(C)c1N
InChIInChI=1S/C10H16N2/c1-7-5-6-9(12(3)4)8(2)10(7)11/h5-6H,11H2,1-4H3
InChIKeyICZPOMBZKROYIH-UHFFFAOYSA-N
XLogP1.95
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,2,4-tetramethylbenzene-1,3-diamine?
The IUPAC name of 1-N,1-N,2,4-tetramethylbenzene-1,3-diamine (CID 66717231) is 1-N,1-N,2,4-tetramethylbenzene-1,3-diamine.
What is the SMILES notation for 1-N,1-N,2,4-tetramethylbenzene-1,3-diamine?
The canonical SMILES for 1-N,1-N,2,4-tetramethylbenzene-1,3-diamine is Cc1ccc(N(C)C)c(C)c1N.
What is the InChIKey of 1-N,1-N,2,4-tetramethylbenzene-1,3-diamine?
The InChIKey is ICZPOMBZKROYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-7-5-6-9(12(3)4)8(2)10(7)11/h5-6H,11H2,1-4H3.
What are the key properties of 1-N,1-N,2,4-tetramethylbenzene-1,3-diamine?
1-N,1-N,2,4-tetramethylbenzene-1,3-diamine has a molecular weight of 164.25 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,2,4-tetramethylbenzene-1,3-diamine is sourced from PubChem (CID 66717231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).