4-ethenyl-1-N,1-N-dimethylbenzene-1,3-diamine

C10H14N2 — CID 154137227

IUPAC4-ethenyl-1-N,1-N-dimethylbenzene-1,3-diamine
SMILESC=Cc1ccc(N(C)C)cc1N
InChIInChI=1S/C10H14N2/c1-4-8-5-6-9(12(2)3)7-10(8)11/h4-7H,1,11H2,2-3H3
InChIKeyXFCSMGZFYCWNLN-UHFFFAOYSA-N
MW162.24 g/mol
LogP1.98
Rot. Bonds2

About 4-ethenyl-1-N,1-N-dimethylbenzene-1,3-diamine

4-ethenyl-1-N,1-N-dimethylbenzene-1,3-diamine (PubChem CID 154137227) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 4-ethenyl-1-N,1-N-dimethylbenzene-1,3-diamine.

Molecular Properties

Compound Name4-ethenyl-1-N,1-N-dimethylbenzene-1,3-diamine
PubChem CID154137227
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name4-ethenyl-1-N,1-N-dimethylbenzene-1,3-diamine
SMILESC=Cc1ccc(N(C)C)cc1N
InChIInChI=1S/C10H14N2/c1-4-8-5-6-9(12(2)3)7-10(8)11/h4-7H,1,11H2,2-3H3
InChIKeyXFCSMGZFYCWNLN-UHFFFAOYSA-N
XLogP1.98
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-ethenyl-N,N-dimethyl-3-prop-1-en-2-ylaniline
CID 170071435
2-ethenyl-5-ethylaniline
CID 142605746
4-methoxy-1-N,1-N-dimethylbenzene-1,3-diamine
CID 30029908
6-N,6-N-dimethylquinoline-4,6-diamine
CID 62190283
3-ethenyl-N,N-dimethyl-4-phenyldiazenylaniline
CID 102247917
6-amino-2-(dimethylamino)-3-ethenylbenzaldehyde
CID 151812227
2-amino-4-(dimethylamino)benzenesulfonamide
CID 79466326
4-ethenyl-N,N-dimethyl-3-(2-phenylethylideneamino)aniline
CID 57303024
3-amino-4-ethenylbenzenesulfinic acid
CID 56982517
3,4-bis(ethenyl)aniline;ethane
CID 142131680
6-N,6-N-dimethyl-1,3-benzothiazole-2,6-diamine
CID 17244961
6-N,6-N-dimethylquinoxaline-2,6-diamine
CID 119094969

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1-N,1-N-dimethylbenzene-1,3-diamine?
The IUPAC name of 4-ethenyl-1-N,1-N-dimethylbenzene-1,3-diamine (CID 154137227) is 4-ethenyl-1-N,1-N-dimethylbenzene-1,3-diamine.
What is the SMILES notation for 4-ethenyl-1-N,1-N-dimethylbenzene-1,3-diamine?
The canonical SMILES for 4-ethenyl-1-N,1-N-dimethylbenzene-1,3-diamine is C=Cc1ccc(N(C)C)cc1N.
What is the InChIKey of 4-ethenyl-1-N,1-N-dimethylbenzene-1,3-diamine?
The InChIKey is XFCSMGZFYCWNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c1-4-8-5-6-9(12(2)3)7-10(8)11/h4-7H,1,11H2,2-3H3.
What are the key properties of 4-ethenyl-1-N,1-N-dimethylbenzene-1,3-diamine?
4-ethenyl-1-N,1-N-dimethylbenzene-1,3-diamine has a molecular weight of 162.24 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-N,1-N-dimethylbenzene-1,3-diamine is sourced from PubChem (CID 154137227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).