1-N,4-dimethylbenzene-1,2-diamine;2-hydrazinyl-5-methylaniline;methanimine

C16H26N6 — CID 155700978

IUPAC1-N,4-dimethylbenzene-1,2-diamine;2-hydrazinyl-5-methylaniline;methanimine
SMILESCNc1ccc(C)cc1N.Cc1ccc(NN)c(N)c1.[H]N=C
InChIInChI=1S/C8H12N2.C7H11N3.CH3N/c1-6-3-4-8(10-2)7(9)5-6;1-5-2-3-7(10-9)6(8)4-5;1-2/h3-5,10H,9H2,1-2H3;2-4,10H,8-9H2,1H3;2H,1H2
InChIKeyBWACLFQSBIRRCS-UHFFFAOYSA-N
MW302.43 g/mol
LogP2.75
Rot. Bonds2

About 1-N,4-dimethylbenzene-1,2-diamine;2-hydrazinyl-5-methylaniline;methanimine

1-N,4-dimethylbenzene-1,2-diamine;2-hydrazinyl-5-methylaniline;methanimine (PubChem CID 155700978) has the molecular formula C16H26N6 and a molecular weight of 302.43 g/mol. Its IUPAC name is 1-N,4-dimethylbenzene-1,2-diamine;2-hydrazinyl-5-methylaniline;methanimine.

Molecular Properties

Compound Name1-N,4-dimethylbenzene-1,2-diamine;2-hydrazinyl-5-methylaniline;methanimine
PubChem CID155700978
Molecular FormulaC16H26N6
Molecular Weight302.43 g/mol
Exact Mass302.22
IUPAC Name1-N,4-dimethylbenzene-1,2-diamine;2-hydrazinyl-5-methylaniline;methanimine
SMILESCNc1ccc(C)cc1N.Cc1ccc(NN)c(N)c1.[H]N=C
InChIInChI=1S/C8H12N2.C7H11N3.CH3N/c1-6-3-4-8(10-2)7(9)5-6;1-5-2-3-7(10-9)6(8)4-5;1-2/h3-5,10H,9H2,1-2H3;2-4,10H,8-9H2,1H3;2H,1H2
InChIKeyBWACLFQSBIRRCS-UHFFFAOYSA-N
XLogP2.75
TPSA125.97 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.43
LogP ≤ 52.75
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-hydrazinyl-5-methylaniline
CID 89276855
1-N,4-dimethylbenzene-1,2-diamine;ethane;molecular hydrogen
CID 144996884
2-hydrazinyl-N,5-dimethylaniline
CID 149056718
N,2,4-trimethylaniline;hydrochloride
CID 18686602
1-N-methyl-4-[methyl(methylidene)-λ4-sulfanyl]benzene-1,2-diamine
CID 144983496
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
3-amino-4-hydrazinylphenol
CID 119000444
1-N-(methoxymethyl)-4-methylbenzene-1,2-diamine
CID 174946886
1-N-cyclopropyl-4-methylbenzene-1,2-diamine;ethane
CID 162380718
2-(aminomethyl)-N,4-dimethylaniline
CID 82502533
2-chloro-N,4-dimethylaniline;formaldehyde
CID 177231502

Frequently Asked Questions

What is the IUPAC name of 1-N,4-dimethylbenzene-1,2-diamine;2-hydrazinyl-5-methylaniline;methanimine?
The IUPAC name of 1-N,4-dimethylbenzene-1,2-diamine;2-hydrazinyl-5-methylaniline;methanimine (CID 155700978) is 1-N,4-dimethylbenzene-1,2-diamine;2-hydrazinyl-5-methylaniline;methanimine.
What is the SMILES notation for 1-N,4-dimethylbenzene-1,2-diamine;2-hydrazinyl-5-methylaniline;methanimine?
The canonical SMILES for 1-N,4-dimethylbenzene-1,2-diamine;2-hydrazinyl-5-methylaniline;methanimine is CNc1ccc(C)cc1N.Cc1ccc(NN)c(N)c1.[H]N=C.
What is the InChIKey of 1-N,4-dimethylbenzene-1,2-diamine;2-hydrazinyl-5-methylaniline;methanimine?
The InChIKey is BWACLFQSBIRRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2.C7H11N3.CH3N/c1-6-3-4-8(10-2)7(9)5-6;1-5-2-3-7(10-9)6(8)4-5;1-2/h3-5,10H,9H2,1-2H3;2-4,10H,8-9H2,1H3;2H,1H2.
What are the key properties of 1-N,4-dimethylbenzene-1,2-diamine;2-hydrazinyl-5-methylaniline;methanimine?
1-N,4-dimethylbenzene-1,2-diamine;2-hydrazinyl-5-methylaniline;methanimine has a molecular weight of 302.43 g/mol, XLogP of 2.75, 2 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-dimethylbenzene-1,2-diamine;2-hydrazinyl-5-methylaniline;methanimine is sourced from PubChem (CID 155700978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).