1-N,4-dimethylbenzene-1,2-diamine;ethane;molecular hydrogen

C10H22N2 — CID 144996884

IUPAC1-N,4-dimethylbenzene-1,2-diamine;ethane;molecular hydrogen
SMILESCC.CNc1ccc(C)cc1N.[H][H].[H][H]
InChIInChI=1S/C8H12N2.C2H6.2H2/c1-6-3-4-8(10-2)7(9)5-6;1-2;;/h3-5,10H,9H2,1-2H3;1-2H3;2*1H
InChIKeyBWBUECVLWLLYHO-UHFFFAOYSA-N
MW170.30 g/mol
LogP3.14
Rot. Bonds1

About 1-N,4-dimethylbenzene-1,2-diamine;ethane;molecular hydrogen

1-N,4-dimethylbenzene-1,2-diamine;ethane;molecular hydrogen (PubChem CID 144996884) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is 1-N,4-dimethylbenzene-1,2-diamine;ethane;molecular hydrogen.

Molecular Properties

Compound Name1-N,4-dimethylbenzene-1,2-diamine;ethane;molecular hydrogen
PubChem CID144996884
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name1-N,4-dimethylbenzene-1,2-diamine;ethane;molecular hydrogen
SMILESCC.CNc1ccc(C)cc1N.[H][H].[H][H]
InChIInChI=1S/C8H12N2.C2H6.2H2/c1-6-3-4-8(10-2)7(9)5-6;1-2;;/h3-5,10H,9H2,1-2H3;1-2H3;2*1H
InChIKeyBWBUECVLWLLYHO-UHFFFAOYSA-N
XLogP3.14
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-N,4-dimethylbenzene-1,2-diamine;ethane;molecular hydrogen with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N,4-dimethylbenzene-1,2-diamine;2-hydrazinyl-5-methylaniline;methanimine
CID 155700978
2-hydrazinyl-5-methylaniline
CID 89276855
1-N-cyclopropyl-4-methylbenzene-1,2-diamine;ethane
CID 162380718
2-hydrazinyl-N,5-dimethylaniline
CID 149056718
N,2,4-trimethylaniline;hydrochloride
CID 18686602
1-N-cyclopropyl-4-methylbenzene-1,2-diamine
CID 43349417
4-methyl-1-N-[2-methyl-2-(3-methylphenyl)propyl]benzene-1,2-diamine
CID 115125181
1-N-(methoxymethyl)-4-methylbenzene-1,2-diamine
CID 174946886
2-(aminomethyl)-N,4-dimethylaniline
CID 82502533
N-(2-amino-4-methylphenyl)-2-[bis(cyanomethyl)amino]acetamide
CID 43375756
4-(2-amino-4-methylanilino)-3,3-dimethylbutan-1-ol
CID 106140671
2-(2-amino-4-methylanilino)-N-methylacetamide
CID 43310500

Frequently Asked Questions

What is the IUPAC name of 1-N,4-dimethylbenzene-1,2-diamine;ethane;molecular hydrogen?
The IUPAC name of 1-N,4-dimethylbenzene-1,2-diamine;ethane;molecular hydrogen (CID 144996884) is 1-N,4-dimethylbenzene-1,2-diamine;ethane;molecular hydrogen.
What is the SMILES notation for 1-N,4-dimethylbenzene-1,2-diamine;ethane;molecular hydrogen?
The canonical SMILES for 1-N,4-dimethylbenzene-1,2-diamine;ethane;molecular hydrogen is CC.CNc1ccc(C)cc1N.[H][H].[H][H].
What is the InChIKey of 1-N,4-dimethylbenzene-1,2-diamine;ethane;molecular hydrogen?
The InChIKey is BWBUECVLWLLYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2.C2H6.2H2/c1-6-3-4-8(10-2)7(9)5-6;1-2;;/h3-5,10H,9H2,1-2H3;1-2H3;2*1H.
What are the key properties of 1-N,4-dimethylbenzene-1,2-diamine;ethane;molecular hydrogen?
1-N,4-dimethylbenzene-1,2-diamine;ethane;molecular hydrogen has a molecular weight of 170.30 g/mol, XLogP of 3.14, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-dimethylbenzene-1,2-diamine;ethane;molecular hydrogen is sourced from PubChem (CID 144996884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).