3-N-[4-(3-aminophenyl)iminopent-2-en-2-yl]benzene-1,3-diamine

C17H20N4 — CID 175260191

IUPAC3-N-[4-(3-aminophenyl)iminopent-2-en-2-yl]benzene-1,3-diamine
SMILESCC(=C/C(C)=N/c1cccc(N)c1)Nc1cccc(N)c1
InChIInChI=1S/C17H20N4/c1-12(20-16-7-3-5-14(18)10-16)9-13(2)21-17-8-4-6-15(19)11-17/h3-11,20H,18-19H2,1-2H3/b12-9?,21-13+
InChIKeyHGGNOKGKUPZFHW-JVYLJVOKSA-N
MW280.38 g/mol
LogP3.96
Rot. Bonds4

About 3-N-[4-(3-aminophenyl)iminopent-2-en-2-yl]benzene-1,3-diamine

3-N-[4-(3-aminophenyl)iminopent-2-en-2-yl]benzene-1,3-diamine (PubChem CID 175260191) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is 3-N-[4-(3-aminophenyl)iminopent-2-en-2-yl]benzene-1,3-diamine.

Molecular Properties

Compound Name3-N-[4-(3-aminophenyl)iminopent-2-en-2-yl]benzene-1,3-diamine
PubChem CID175260191
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC Name3-N-[4-(3-aminophenyl)iminopent-2-en-2-yl]benzene-1,3-diamine
SMILESCC(=C/C(C)=N/c1cccc(N)c1)Nc1cccc(N)c1
InChIInChI=1S/C17H20N4/c1-12(20-16-7-3-5-14(18)10-16)9-13(2)21-17-8-4-6-15(19)11-17/h3-11,20H,18-19H2,1-2H3/b12-9?,21-13+
InChIKeyHGGNOKGKUPZFHW-JVYLJVOKSA-N
XLogP3.96
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-N,4-N-bis[4-(2,6-dimethylphenyl)iminopent-2-en-2-yl]benzene-1,4-diamine
CID 139160848
N-[(Z)-4-(2,6-dichlorophenyl)iminopent-2-en-2-yl]aniline
CID 144792170
N-(3-aminophenyl)acetamide;hydrate;hydrochloride
CID 91872080
1-N,4-N-bis[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]benzene-1,4-diamine
CID 162408249
N-[3-(1-aminoethylideneamino)phenyl]acetamide
CID 63173502
N-[(Z)-4-methyliminopent-2-en-2-yl]aniline
CID 23579015
N-[(3-aminophenyl)carbamoyl]acetamide
CID 86767324
N-[3-(diaminomethylideneamino)phenyl]acetamide;hydrochloride
CID 91619584
N-[(E)-4-[2,4,6-tris[bis(trimethylsilyl)methyl]phenyl]iminopent-2-en-2-yl]aniline
CID 177423131
N-[3-(3-aminophenyl)phenyl]acetamide
CID 22724502
(2E,4E)-N-(3-aminophenyl)-5-chloro-2-methylhexa-2,4-dienamide
CID 130413317
2-amino-N-(3-aminophenyl)propanamide
CID 110478892

Frequently Asked Questions

What is the IUPAC name of 3-N-[4-(3-aminophenyl)iminopent-2-en-2-yl]benzene-1,3-diamine?
The IUPAC name of 3-N-[4-(3-aminophenyl)iminopent-2-en-2-yl]benzene-1,3-diamine (CID 175260191) is 3-N-[4-(3-aminophenyl)iminopent-2-en-2-yl]benzene-1,3-diamine.
What is the SMILES notation for 3-N-[4-(3-aminophenyl)iminopent-2-en-2-yl]benzene-1,3-diamine?
The canonical SMILES for 3-N-[4-(3-aminophenyl)iminopent-2-en-2-yl]benzene-1,3-diamine is CC(=C/C(C)=N/c1cccc(N)c1)Nc1cccc(N)c1.
What is the InChIKey of 3-N-[4-(3-aminophenyl)iminopent-2-en-2-yl]benzene-1,3-diamine?
The InChIKey is HGGNOKGKUPZFHW-JVYLJVOKSA-N. The full InChI is InChI=1S/C17H20N4/c1-12(20-16-7-3-5-14(18)10-16)9-13(2)21-17-8-4-6-15(19)11-17/h3-11,20H,18-19H2,1-2H3/b12-9?,21-13+.
What are the key properties of 3-N-[4-(3-aminophenyl)iminopent-2-en-2-yl]benzene-1,3-diamine?
3-N-[4-(3-aminophenyl)iminopent-2-en-2-yl]benzene-1,3-diamine has a molecular weight of 280.38 g/mol, XLogP of 3.96, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[4-(3-aminophenyl)iminopent-2-en-2-yl]benzene-1,3-diamine is sourced from PubChem (CID 175260191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).