(Z)-N-[1-[(4-chlorophenyl)diazenyl]ethenyl]-N-methylprop-1-en-1-amine

C12H14ClN3 — CID 89359607

IUPAC(Z)-N-[1-[(4-chlorophenyl)diazenyl]ethenyl]-N-methylprop-1-en-1-amine
SMILESC=C(/N=N/c1ccc(Cl)cc1)N(C)/C=C\C
InChIInChI=1S/C12H14ClN3/c1-4-9-16(3)10(2)14-15-12-7-5-11(13)6-8-12/h4-9H,2H2,1,3H3/b9-4-,15-14+
InChIKeyBHFCACSUWJYBBR-UXLDDYGISA-N
MW235.72 g/mol
LogP4.36
Rot. Bonds4

About (Z)-N-[1-[(4-chlorophenyl)diazenyl]ethenyl]-N-methylprop-1-en-1-amine

(Z)-N-[1-[(4-chlorophenyl)diazenyl]ethenyl]-N-methylprop-1-en-1-amine (PubChem CID 89359607) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is (Z)-N-[1-[(4-chlorophenyl)diazenyl]ethenyl]-N-methylprop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-N-[1-[(4-chlorophenyl)diazenyl]ethenyl]-N-methylprop-1-en-1-amine
PubChem CID89359607
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC Name(Z)-N-[1-[(4-chlorophenyl)diazenyl]ethenyl]-N-methylprop-1-en-1-amine
SMILESC=C(/N=N/c1ccc(Cl)cc1)N(C)/C=C\C
InChIInChI=1S/C12H14ClN3/c1-4-9-16(3)10(2)14-15-12-7-5-11(13)6-8-12/h4-9H,2H2,1,3H3/b9-4-,15-14+
InChIKeyBHFCACSUWJYBBR-UXLDDYGISA-N
XLogP4.36
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.72
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

4,4'-Dichloroazobenzene
CID 15340
4-(Para-chlorophenylazo)-N,N-dimethylaniline
CID 17226
1-(4-Chlorophenyl)-3,3-dimethyl-1-triazene
CID 23605
4-Chloro-N,N-dimethylaniline
CID 136530
FORMAMIDINE, N'-(p-CHLOROPHENYL)-N,N-DIMETHYL-
CID 16419
((p-Chlorophenyl)azo)malononitrile
CID 13435
1-(4-Chlorophenyl)-2-phenyldiazene
CID 20349
Triazene, 1-(m-chlorophenyl)-3,3-dimethyl-
CID 88425
Benzene, 1-azido-4-chloro-
CID 76803
1-(4-Chlorophenylazo)piperidine
CID 150637
Trimeturon
CID 76450
1-(2,4,6-Trichlorophenyl)-3,3-dimethyltriazene
CID 99639

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[1-[(4-chlorophenyl)diazenyl]ethenyl]-N-methylprop-1-en-1-amine?
The IUPAC name of (Z)-N-[1-[(4-chlorophenyl)diazenyl]ethenyl]-N-methylprop-1-en-1-amine (CID 89359607) is (Z)-N-[1-[(4-chlorophenyl)diazenyl]ethenyl]-N-methylprop-1-en-1-amine.
What is the SMILES notation for (Z)-N-[1-[(4-chlorophenyl)diazenyl]ethenyl]-N-methylprop-1-en-1-amine?
The canonical SMILES for (Z)-N-[1-[(4-chlorophenyl)diazenyl]ethenyl]-N-methylprop-1-en-1-amine is C=C(/N=N/c1ccc(Cl)cc1)N(C)/C=C\C.
What is the InChIKey of (Z)-N-[1-[(4-chlorophenyl)diazenyl]ethenyl]-N-methylprop-1-en-1-amine?
The InChIKey is BHFCACSUWJYBBR-UXLDDYGISA-N. The full InChI is InChI=1S/C12H14ClN3/c1-4-9-16(3)10(2)14-15-12-7-5-11(13)6-8-12/h4-9H,2H2,1,3H3/b9-4-,15-14+.
What are the key properties of (Z)-N-[1-[(4-chlorophenyl)diazenyl]ethenyl]-N-methylprop-1-en-1-amine?
(Z)-N-[1-[(4-chlorophenyl)diazenyl]ethenyl]-N-methylprop-1-en-1-amine has a molecular weight of 235.72 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[1-[(4-chlorophenyl)diazenyl]ethenyl]-N-methylprop-1-en-1-amine is sourced from PubChem (CID 89359607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).