3-N-(4-tert-butylphenyl)-1-N-prop-2-enylbenzene-1,3-diamine

C19H24N2 — CID 167385074

IUPAC3-N-(4-tert-butylphenyl)-1-N-prop-2-enylbenzene-1,3-diamine
SMILESC=CCNc1cccc(Nc2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C19H24N2/c1-5-13-20-17-7-6-8-18(14-17)21-16-11-9-15(10-12-16)19(2,3)4/h5-12,14,20-21H,1,13H2,2-4H3
InChIKeyLATSSYZLIUPAIU-UHFFFAOYSA-N
MW280.42 g/mol
LogP5.33
Rot. Bonds5

About 3-N-(4-tert-butylphenyl)-1-N-prop-2-enylbenzene-1,3-diamine

3-N-(4-tert-butylphenyl)-1-N-prop-2-enylbenzene-1,3-diamine (PubChem CID 167385074) has the molecular formula C19H24N2 and a molecular weight of 280.42 g/mol. Its IUPAC name is 3-N-(4-tert-butylphenyl)-1-N-prop-2-enylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(4-tert-butylphenyl)-1-N-prop-2-enylbenzene-1,3-diamine
PubChem CID167385074
Molecular FormulaC19H24N2
Molecular Weight280.42 g/mol
Exact Mass280.19
IUPAC Name3-N-(4-tert-butylphenyl)-1-N-prop-2-enylbenzene-1,3-diamine
SMILESC=CCNc1cccc(Nc2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C19H24N2/c1-5-13-20-17-7-6-8-18(14-17)21-16-11-9-15(10-12-16)19(2,3)4/h5-12,14,20-21H,1,13H2,2-4H3
InChIKeyLATSSYZLIUPAIU-UHFFFAOYSA-N
XLogP5.33
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.42
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-N-(4-tert-butylphenyl)-1-N-prop-2-enylbenzene-1,3-diamine 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

3-tert-butyl-N-prop-2-enylaniline
CID 171478062
1-N-(4-tert-butylphenyl)-3-N-[(5E)-2,7,7-trimethylocta-1,5-dien-3-yl]benzene-1,3-diamine
CID 167383872
4-tert-butyl-N-[4-(prop-2-enylamino)phenyl]benzenesulfonamide
CID 112980197
3-(bromomethyl)-N-prop-2-enylaniline
CID 91103507
3-tert-butyl-N-phenylaniline
CID 19803090
4-N-(3-bromophenyl)-6-N-[3-(prop-2-enylamino)phenyl]pyrimidine-4,6-diamine
CID 151427006
3-N-(4-tert-butylphenyl)-5-N-prop-2-enyl-1,2,4-triazine-3,5-diamine
CID 112939591
3-tert-butyl-N-(4-methylphenyl)aniline
CID 166638036
4-N-(4-tert-butylphenyl)benzene-1,2,4-triamine
CID 106750291
N,N'-diphenylbut-2-ene-1,4-diamine;ethane;N-prop-2-enylaniline
CID 159867167
N'-(4-tert-butylphenyl)-N-prop-2-enylpropanediamide
CID 108941269
3-cyclobutyl-N-prop-2-enylaniline
CID 130609398

Frequently Asked Questions

What is the IUPAC name of 3-N-(4-tert-butylphenyl)-1-N-prop-2-enylbenzene-1,3-diamine?
The IUPAC name of 3-N-(4-tert-butylphenyl)-1-N-prop-2-enylbenzene-1,3-diamine (CID 167385074) is 3-N-(4-tert-butylphenyl)-1-N-prop-2-enylbenzene-1,3-diamine.
What is the SMILES notation for 3-N-(4-tert-butylphenyl)-1-N-prop-2-enylbenzene-1,3-diamine?
The canonical SMILES for 3-N-(4-tert-butylphenyl)-1-N-prop-2-enylbenzene-1,3-diamine is C=CCNc1cccc(Nc2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of 3-N-(4-tert-butylphenyl)-1-N-prop-2-enylbenzene-1,3-diamine?
The InChIKey is LATSSYZLIUPAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2/c1-5-13-20-17-7-6-8-18(14-17)21-16-11-9-15(10-12-16)19(2,3)4/h5-12,14,20-21H,1,13H2,2-4H3.
What are the key properties of 3-N-(4-tert-butylphenyl)-1-N-prop-2-enylbenzene-1,3-diamine?
3-N-(4-tert-butylphenyl)-1-N-prop-2-enylbenzene-1,3-diamine has a molecular weight of 280.42 g/mol, XLogP of 5.33, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(4-tert-butylphenyl)-1-N-prop-2-enylbenzene-1,3-diamine is sourced from PubChem (CID 167385074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).