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

C24H30N4 — CID 142474579

IUPAC(11Z)-12-[amino(methyl)amino]-5-(5-methylidenehept-1-en-2-yl)-6H-benzo[c][1]benzazocin-11-amine
SMILESC=C(CC)CCC(=C)N1Cc2ccccc2/C(N)=C(/N(C)N)c2ccccc21
InChIInChI=1S/C24H30N4/c1-5-17(2)14-15-18(3)28-16-19-10-6-7-11-20(19)23(25)24(27(4)26)21-12-8-9-13-22(21)28/h6-13H,2-3,5,14-16,25-26H2,1,4H3/b24-23-
InChIKeyIXUVPWVXTWGYDD-VHXPQNKSSA-N
MW374.53 g/mol
LogP4.86
Rot. Bonds6

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

(11Z)-12-[amino(methyl)amino]-5-(5-methylidenehept-1-en-2-yl)-6H-benzo[c][1]benzazocin-11-amine (PubChem CID 142474579) has the molecular formula C24H30N4 and a molecular weight of 374.53 g/mol. Its IUPAC name is (11Z)-12-[amino(methyl)amino]-5-(5-methylidenehept-1-en-2-yl)-6H-benzo[c][1]benzazocin-11-amine.

Molecular Properties

Compound Name(11Z)-12-[amino(methyl)amino]-5-(5-methylidenehept-1-en-2-yl)-6H-benzo[c][1]benzazocin-11-amine
PubChem CID142474579
Molecular FormulaC24H30N4
Molecular Weight374.53 g/mol
Exact Mass374.25
IUPAC Name(11Z)-12-[amino(methyl)amino]-5-(5-methylidenehept-1-en-2-yl)-6H-benzo[c][1]benzazocin-11-amine
SMILESC=C(CC)CCC(=C)N1Cc2ccccc2/C(N)=C(/N(C)N)c2ccccc21
InChIInChI=1S/C24H30N4/c1-5-17(2)14-15-18(3)28-16-19-10-6-7-11-20(19)23(25)24(27(4)26)21-12-8-9-13-22(21)28/h6-13H,2-3,5,14-16,25-26H2,1,4H3/b24-23-
InChIKeyIXUVPWVXTWGYDD-VHXPQNKSSA-N
XLogP4.86
TPSA58.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 54.86
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-(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-(6-methyl-5-methylidenehept-1-en-2-yl)-6H-benzo[c][1]benzazocin-11-amine
CID 142474512
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-amino-6-[amino-[(11Z)-11-amino-5-(6-oxooctanoyl)-6H-benzo[c][1]benzazocin-12-yl]amino]hexanoic acid
CID 167499568
2-[[(11Z)-5-acetyl-12-amino-6H-benzo[c][1]benzazocin-11-yl]-aminoamino]acetamide;ethane
CID 142291738
(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
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
2-[amino-[(11Z)-12-amino-5-(4-nitroso-4-oxobutanoyl)-6H-benzo[c][1]benzazocin-11-yl]amino]ethyl 2-methylpropanoate
CID 175630088
(3Z,5Z)-6-[amino(methyl)amino]-3,4-bis(ethenyl)-1-methyl-2H-1-benzazocin-5-amine;ethane
CID 153397876
2-[amino-[(11Z)-11-amino-5-[3-(methylamino)propanoyl]-6H-benzo[c][1]benzazocin-12-yl]amino]ethyl N-pentylcarbamate;3-propoxypropanal
CID 156649535
(11Z)-11-[amino(phosphanyl)amino]-5-methyl-6H-benzo[c][1]benzazocin-12-amine;ethane
CID 144590175

Frequently Asked Questions

What is the IUPAC name of (11Z)-12-[amino(methyl)amino]-5-(5-methylidenehept-1-en-2-yl)-6H-benzo[c][1]benzazocin-11-amine?
The IUPAC name of (11Z)-12-[amino(methyl)amino]-5-(5-methylidenehept-1-en-2-yl)-6H-benzo[c][1]benzazocin-11-amine (CID 142474579) is (11Z)-12-[amino(methyl)amino]-5-(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-(5-methylidenehept-1-en-2-yl)-6H-benzo[c][1]benzazocin-11-amine?
The canonical SMILES for (11Z)-12-[amino(methyl)amino]-5-(5-methylidenehept-1-en-2-yl)-6H-benzo[c][1]benzazocin-11-amine is C=C(CC)CCC(=C)N1Cc2ccccc2/C(N)=C(/N(C)N)c2ccccc21.
What is the InChIKey of (11Z)-12-[amino(methyl)amino]-5-(5-methylidenehept-1-en-2-yl)-6H-benzo[c][1]benzazocin-11-amine?
The InChIKey is IXUVPWVXTWGYDD-VHXPQNKSSA-N. The full InChI is InChI=1S/C24H30N4/c1-5-17(2)14-15-18(3)28-16-19-10-6-7-11-20(19)23(25)24(27(4)26)21-12-8-9-13-22(21)28/h6-13H,2-3,5,14-16,25-26H2,1,4H3/b24-23-.
What are the key properties of (11Z)-12-[amino(methyl)amino]-5-(5-methylidenehept-1-en-2-yl)-6H-benzo[c][1]benzazocin-11-amine?
(11Z)-12-[amino(methyl)amino]-5-(5-methylidenehept-1-en-2-yl)-6H-benzo[c][1]benzazocin-11-amine has a molecular weight of 374.53 g/mol, XLogP of 4.86, 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-(5-methylidenehept-1-en-2-yl)-6H-benzo[c][1]benzazocin-11-amine is sourced from PubChem (CID 142474579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).