(3Z)-1-N-[2-(4-aminophenyl)ethyl]-2-methylidenehexa-3,5-diene-1,5-diamine

C15H21N3 — CID 144833951

IUPAC(3Z)-1-N-[2-(4-aminophenyl)ethyl]-2-methylidenehexa-3,5-diene-1,5-diamine
SMILESC=C(N)/C=C\C(=C)CNCCc1ccc(N)cc1
InChIInChI=1S/C15H21N3/c1-12(3-4-13(2)16)11-18-10-9-14-5-7-15(17)8-6-14/h3-8,18H,1-2,9-11,16-17H2/b4-3-
InChIKeyZKTBCNBDLBWMLK-ARJAWSKDSA-N
MW243.35 g/mol
LogP1.99
Rot. Bonds7

About (3Z)-1-N-[2-(4-aminophenyl)ethyl]-2-methylidenehexa-3,5-diene-1,5-diamine

(3Z)-1-N-[2-(4-aminophenyl)ethyl]-2-methylidenehexa-3,5-diene-1,5-diamine (PubChem CID 144833951) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is (3Z)-1-N-[2-(4-aminophenyl)ethyl]-2-methylidenehexa-3,5-diene-1,5-diamine.

Molecular Properties

Compound Name(3Z)-1-N-[2-(4-aminophenyl)ethyl]-2-methylidenehexa-3,5-diene-1,5-diamine
PubChem CID144833951
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name(3Z)-1-N-[2-(4-aminophenyl)ethyl]-2-methylidenehexa-3,5-diene-1,5-diamine
SMILESC=C(N)/C=C\C(=C)CNCCc1ccc(N)cc1
InChIInChI=1S/C15H21N3/c1-12(3-4-13(2)16)11-18-10-9-14-5-7-15(17)8-6-14/h3-8,18H,1-2,9-11,16-17H2/b4-3-
InChIKeyZKTBCNBDLBWMLK-ARJAWSKDSA-N
XLogP1.99
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (3Z)-1-N-[2-(4-aminophenyl)ethyl]-2-methylidenehexa-3,5-diene-1,5-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

4-[(Z)-3,6-dimethylideneoct-4-enyl]aniline
CID 145059876
2-[2-(4-propan-2-ylphenyl)ethylamino]acetamide
CID 115260058
4-[2-(octylamino)ethyl]aniline
CID 113337418
3-[2-(4-aminophenyl)ethylamino]-3-oxopropanoic acid
CID 110480212
4-[2-(2-cyclohexa-1,5-dien-1-ylethylamino)ethyl]aniline;formaldehyde
CID 144690325
4-[3-(cyclopropylmethylamino)propyl]aniline
CID 115341816
4-(3-methylbut-3-enyl)aniline
CID 126710999
CID 23389090
CID 23389090
(2R,3E,5Z,7Z)-1-[2-(4-aminophenyl)ethylamino]nona-3,5,7-trien-2-ol
CID 144690321
4-[2-(5-methylhexylamino)ethyl]aniline
CID 115326174
4-amino-N-[2-(4-aminophenyl)ethyl]benzamide
CID 110483115
4-[2-(methoxyamino)ethyl]aniline
CID 143701980

Frequently Asked Questions

What is the IUPAC name of (3Z)-1-N-[2-(4-aminophenyl)ethyl]-2-methylidenehexa-3,5-diene-1,5-diamine?
The IUPAC name of (3Z)-1-N-[2-(4-aminophenyl)ethyl]-2-methylidenehexa-3,5-diene-1,5-diamine (CID 144833951) is (3Z)-1-N-[2-(4-aminophenyl)ethyl]-2-methylidenehexa-3,5-diene-1,5-diamine.
What is the SMILES notation for (3Z)-1-N-[2-(4-aminophenyl)ethyl]-2-methylidenehexa-3,5-diene-1,5-diamine?
The canonical SMILES for (3Z)-1-N-[2-(4-aminophenyl)ethyl]-2-methylidenehexa-3,5-diene-1,5-diamine is C=C(N)/C=C\C(=C)CNCCc1ccc(N)cc1.
What is the InChIKey of (3Z)-1-N-[2-(4-aminophenyl)ethyl]-2-methylidenehexa-3,5-diene-1,5-diamine?
The InChIKey is ZKTBCNBDLBWMLK-ARJAWSKDSA-N. The full InChI is InChI=1S/C15H21N3/c1-12(3-4-13(2)16)11-18-10-9-14-5-7-15(17)8-6-14/h3-8,18H,1-2,9-11,16-17H2/b4-3-.
What are the key properties of (3Z)-1-N-[2-(4-aminophenyl)ethyl]-2-methylidenehexa-3,5-diene-1,5-diamine?
(3Z)-1-N-[2-(4-aminophenyl)ethyl]-2-methylidenehexa-3,5-diene-1,5-diamine has a molecular weight of 243.35 g/mol, XLogP of 1.99, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-1-N-[2-(4-aminophenyl)ethyl]-2-methylidenehexa-3,5-diene-1,5-diamine is sourced from PubChem (CID 144833951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).