(11Z)-12-[amino(methyl)amino]-5-(6-methyl-5-methylidenehept-1-en-2-yl)-6H-benzo[c][1]benzazocin-11-amine

C25H32N4 — CID 142474512

IUPAC(11Z)-12-[amino(methyl)amino]-5-(6-methyl-5-methylidenehept-1-en-2-yl)-6H-benzo[c][1]benzazocin-11-amine
SMILESC=C(CCC(=C)N1Cc2ccccc2/C(N)=C(/N(C)N)c2ccccc21)C(C)C
InChIInChI=1S/C25H32N4/c1-17(2)18(3)14-15-19(4)29-16-20-10-6-7-11-21(20)24(26)25(28(5)27)22-12-8-9-13-23(22)29/h6-13,17H,3-4,14-16,26-27H2,1-2,5H3/b25-24-
InChIKeyGQFNWAMFUBOTOF-IZHYLOQSSA-N
MW388.56 g/mol
LogP5.10
Rot. Bonds6

About (11Z)-12-[amino(methyl)amino]-5-(6-methyl-5-methylidenehept-1-en-2-yl)-6H-benzo[c][1]benzazocin-11-amine

(11Z)-12-[amino(methyl)amino]-5-(6-methyl-5-methylidenehept-1-en-2-yl)-6H-benzo[c][1]benzazocin-11-amine (PubChem CID 142474512) has the molecular formula C25H32N4 and a molecular weight of 388.56 g/mol. Its IUPAC name is (11Z)-12-[amino(methyl)amino]-5-(6-methyl-5-methylidenehept-1-en-2-yl)-6H-benzo[c][1]benzazocin-11-amine.

Molecular Properties

Compound Name(11Z)-12-[amino(methyl)amino]-5-(6-methyl-5-methylidenehept-1-en-2-yl)-6H-benzo[c][1]benzazocin-11-amine
PubChem CID142474512
Molecular FormulaC25H32N4
Molecular Weight388.56 g/mol
Exact Mass388.26
IUPAC Name(11Z)-12-[amino(methyl)amino]-5-(6-methyl-5-methylidenehept-1-en-2-yl)-6H-benzo[c][1]benzazocin-11-amine
SMILESC=C(CCC(=C)N1Cc2ccccc2/C(N)=C(/N(C)N)c2ccccc21)C(C)C
InChIInChI=1S/C25H32N4/c1-17(2)18(3)14-15-19(4)29-16-20-10-6-7-11-21(20)24(26)25(28(5)27)22-12-8-9-13-23(22)29/h6-13,17H,3-4,14-16,26-27H2,1-2,5H3/b25-24-
InChIKeyGQFNWAMFUBOTOF-IZHYLOQSSA-N
XLogP5.10
TPSA58.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.56
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze (11Z)-12-[amino(methyl)amino]-5-(6-methyl-5-methylidenehept-1-en-2-yl)-6H-benzo[c][1]benzazocin-11-amine 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

(11Z)-12-[amino(methyl)amino]-5-(5-methylidenehept-1-en-2-yl)-6H-benzo[c][1]benzazocin-11-amine
CID 142474579
1-[(11Z)-12-amino-11-[amino(methyl)amino]-6H-benzo[c][1]benzazocin-5-yl]ethanone
CID 145302097
4-[(11Z)-12-amino-11-[amino(methyl)amino]-6H-benzo[c][1]benzazocin-5-yl]-N-butyl-4-oxobutanamide
CID 178091009
1-[2-[(11Z)-11-amino-12-[amino(ethyl)amino]-6H-benzo[c][1]benzazocin-5-yl]-2-oxoethyl]-1-methylurea
CID 176980919
2-[[(11Z)-5-acetyl-12-amino-6H-benzo[c][1]benzazocin-11-yl]-aminoamino]acetamide;ethane
CID 142291738
1-(11,12-dihydro-6H-benzo[c][1]benzazocin-5-yl)-5-methyl-4-methylidenehexan-1-one
CID 175610033
(11Z)-11-[amino(ethyl)amino]-5-propan-2-yl-6H-benzo[c][1]benzazocin-12-amine;(11Z)-12-[amino(propan-2-yl)amino]-5-propan-2-yl-6H-benzo[c][1]benzazocin-11-amine
CID 176693708
2-[amino-[(11Z)-12-amino-5-(4-nitroso-4-oxobutanoyl)-6H-benzo[c][1]benzazocin-11-yl]amino]ethyl 2-methylpropanoate
CID 175630088
2-amino-6-[amino-[(11Z)-11-amino-5-(6-oxooctanoyl)-6H-benzo[c][1]benzazocin-12-yl]amino]hexanoic acid
CID 167499568
4-[(11Z)-12-amino-11-[amino-[2-[2-[2-[2-[2-[2-(2-methylpropanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]-6H-benzo[c][1]benzazocin-5-yl]-4-oxo-N-propan-2-ylbutanamide
CID 177341841
1-[12-amino-11-[amino(propan-2-yl)amino]-11,12-dihydro-6H-benzo[c][1]benzazocin-5-yl]-2-methylpropan-1-one
CID 146253619
1-[(11Z)-11-amino-12-[amino-[2-methyl-4-[methyl(methylamino)phosphoryl]butan-2-yl]amino]-6H-benzo[c][1]benzazocin-5-yl]-2,2,5,5-tetramethyloctane-1,6-dione
CID 176696067

Frequently Asked Questions

What is the IUPAC name of (11Z)-12-[amino(methyl)amino]-5-(6-methyl-5-methylidenehept-1-en-2-yl)-6H-benzo[c][1]benzazocin-11-amine?
The IUPAC name of (11Z)-12-[amino(methyl)amino]-5-(6-methyl-5-methylidenehept-1-en-2-yl)-6H-benzo[c][1]benzazocin-11-amine (CID 142474512) is (11Z)-12-[amino(methyl)amino]-5-(6-methyl-5-methylidenehept-1-en-2-yl)-6H-benzo[c][1]benzazocin-11-amine.
What is the SMILES notation for (11Z)-12-[amino(methyl)amino]-5-(6-methyl-5-methylidenehept-1-en-2-yl)-6H-benzo[c][1]benzazocin-11-amine?
The canonical SMILES for (11Z)-12-[amino(methyl)amino]-5-(6-methyl-5-methylidenehept-1-en-2-yl)-6H-benzo[c][1]benzazocin-11-amine is C=C(CCC(=C)N1Cc2ccccc2/C(N)=C(/N(C)N)c2ccccc21)C(C)C.
What is the InChIKey of (11Z)-12-[amino(methyl)amino]-5-(6-methyl-5-methylidenehept-1-en-2-yl)-6H-benzo[c][1]benzazocin-11-amine?
The InChIKey is GQFNWAMFUBOTOF-IZHYLOQSSA-N. The full InChI is InChI=1S/C25H32N4/c1-17(2)18(3)14-15-19(4)29-16-20-10-6-7-11-21(20)24(26)25(28(5)27)22-12-8-9-13-23(22)29/h6-13,17H,3-4,14-16,26-27H2,1-2,5H3/b25-24-.
What are the key properties of (11Z)-12-[amino(methyl)amino]-5-(6-methyl-5-methylidenehept-1-en-2-yl)-6H-benzo[c][1]benzazocin-11-amine?
(11Z)-12-[amino(methyl)amino]-5-(6-methyl-5-methylidenehept-1-en-2-yl)-6H-benzo[c][1]benzazocin-11-amine has a molecular weight of 388.56 g/mol, XLogP of 5.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (11Z)-12-[amino(methyl)amino]-5-(6-methyl-5-methylidenehept-1-en-2-yl)-6H-benzo[c][1]benzazocin-11-amine is sourced from PubChem (CID 142474512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).