(3Z,5Z)-5,6-dimethyl-2-methylidene-N-[1-[8-(2-methylprop-2-enyl)-6H-pyrazolo[1,5-a][1,3]diazepin-5-yl]ethenyl]octa-3,5-dien-1-amine;2,2-dimethylpropane;ethene

C33H52N4 — CID 143345770

IUPAC(3Z,5Z)-5,6-dimethyl-2-methylidene-N-[1-[8-(2-methylprop-2-enyl)-6H-pyrazolo[1,5-a][1,3]diazepin-5-yl]ethenyl]octa-3,5-dien-1-amine;2,2-dimethylpropane;ethene
SMILESC=C.C=C.C=C(C)CC1=CCC(C(=C)NCC(=C)/C=C\C(C)=C(\C)CC)=Nc2ccnn21.CC(C)(C)C
InChIInChI=1S/C24H32N4.C5H12.2C2H4/c1-8-19(5)20(6)10-9-18(4)16-25-21(7)23-12-11-22(15-17(2)3)28-24(27-23)13-14-26-28;1-5(2,3)4;2*1-2/h9-11,13-14,25H,2,4,7-8,12,15-16H2,1,3,5-6H3;1-4H3;2*1-2H2/b10-9-,20-19-;;;
InChIKeyHOCAYEBPJDTYMI-BSEFCPPOSA-N
MW504.81 g/mol
LogP9.79
Rot. Bonds9

About (3Z,5Z)-5,6-dimethyl-2-methylidene-N-[1-[8-(2-methylprop-2-enyl)-6H-pyrazolo[1,5-a][1,3]diazepin-5-yl]ethenyl]octa-3,5-dien-1-amine;2,2-dimethylpropane;ethene

(3Z,5Z)-5,6-dimethyl-2-methylidene-N-[1-[8-(2-methylprop-2-enyl)-6H-pyrazolo[1,5-a][1,3]diazepin-5-yl]ethenyl]octa-3,5-dien-1-amine;2,2-dimethylpropane;ethene (PubChem CID 143345770) has the molecular formula C33H52N4 and a molecular weight of 504.81 g/mol. Its IUPAC name is (3Z,5Z)-5,6-dimethyl-2-methylidene-N-[1-[8-(2-methylprop-2-enyl)-6H-pyrazolo[1,5-a][1,3]diazepin-5-yl]ethenyl]octa-3,5-dien-1-amine;2,2-dimethylpropane;ethene.

Molecular Properties

Compound Name(3Z,5Z)-5,6-dimethyl-2-methylidene-N-[1-[8-(2-methylprop-2-enyl)-6H-pyrazolo[1,5-a][1,3]diazepin-5-yl]ethenyl]octa-3,5-dien-1-amine;2,2-dimethylpropane;ethene
PubChem CID143345770
Molecular FormulaC33H52N4
Molecular Weight504.81 g/mol
Exact Mass504.42
IUPAC Name(3Z,5Z)-5,6-dimethyl-2-methylidene-N-[1-[8-(2-methylprop-2-enyl)-6H-pyrazolo[1,5-a][1,3]diazepin-5-yl]ethenyl]octa-3,5-dien-1-amine;2,2-dimethylpropane;ethene
SMILESC=C.C=C.C=C(C)CC1=CCC(C(=C)NCC(=C)/C=C\C(C)=C(\C)CC)=Nc2ccnn21.CC(C)(C)C
InChIInChI=1S/C24H32N4.C5H12.2C2H4/c1-8-19(5)20(6)10-9-18(4)16-25-21(7)23-12-11-22(15-17(2)3)28-24(27-23)13-14-26-28;1-5(2,3)4;2*1-2/h9-11,13-14,25H,2,4,7-8,12,15-16H2,1,3,5-6H3;1-4H3;2*1-2H2/b10-9-,20-19-;;;
InChIKeyHOCAYEBPJDTYMI-BSEFCPPOSA-N
XLogP9.79
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.81
LogP ≤ 59.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3Z,5Z)-5,6-dimethyl-2-methylidene-N-[1-[8-(2-methylprop-2-enyl)-6H-pyrazolo[1,5-a][1,3]diazepin-5-yl]ethenyl]octa-3,5-dien-1-amine;2,2-dimethylpropane;ethene 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

1-[(3Z,5Z)-5-(aminomethylidene)-6-methylhepta-1,3-dien-2-yl]pyrazol-3-amine
CID 89179233
1-[(3Z,5Z)-5-(aminomethylidene)hepta-1,3-dien-2-yl]pyrazol-3-amine
CID 89179239
2-[(2Z)-4-methylpenta-2,4-dien-2-yl]pyrazol-3-amine
CID 89250424
1-[N-[(E)-5,5-dimethylhex-3-en-3-yl]-C-ethenylcarbonimidoyl]-N-propan-2-ylpyrazol-3-amine
CID 129195825
N'-[1-[4-bromo-5-[(E)-1-(2-methylcyclohepta-1,3,6-trien-1-yl)ethylideneamino]pyrazol-1-yl]ethyl]-N-methylbutane-1,4-diamine;6-[(2Z)-2-ethenylpenta-2,4-dienylidene]cyclohepta-1,3-diene
CID 143441839
N,2-dimethyl-N-(methylideneamino)prop-1-en-1-amine;(6E)-6-(2-prop-1-en-2-ylpyrazol-3-yl)imino-N-propylhexan-1-amine
CID 143803511
(2E)-2-[2-(aminomethyl)pyrazol-3-yl]imino-N-(cyclohepta-1,4,6-trien-1-ylmethyl)-N-ethylbut-3-en-1-amine;ethane
CID 143891200
ethane;(E,4Z)-6-methyl-3-methylidene-N-(2-methylpyrazol-3-yl)hepta-4,6-dien-2-imine
CID 144049875
2-[(3Z)-2,2-dimethylhexa-3,5-dien-3-yl]pyrazol-3-amine
CID 166652164
N-hexyl-5-pentan-3-yl-8H-pyrazolo[1,5-a][1,3]diazepin-8-amine
CID 169863258
(3Z,5Z)-5,6-dimethyl-2-methylidene-N-[1-[8-(2-methylprop-2-enyl)-6H-pyrazolo[1,5-a][1,3]diazepin-5-yl]ethenyl]octa-3,5-dien-1-amine
CID 143345771
N'-[1-[4-bromo-5-[(E)-1-(2-methylcyclohepta-1,3,6-trien-1-yl)ethylideneamino]pyrazol-1-yl]ethyl]-N-methylbutane-1,4-diamine
CID 143441840

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-5,6-dimethyl-2-methylidene-N-[1-[8-(2-methylprop-2-enyl)-6H-pyrazolo[1,5-a][1,3]diazepin-5-yl]ethenyl]octa-3,5-dien-1-amine;2,2-dimethylpropane;ethene?
The IUPAC name of (3Z,5Z)-5,6-dimethyl-2-methylidene-N-[1-[8-(2-methylprop-2-enyl)-6H-pyrazolo[1,5-a][1,3]diazepin-5-yl]ethenyl]octa-3,5-dien-1-amine;2,2-dimethylpropane;ethene (CID 143345770) is (3Z,5Z)-5,6-dimethyl-2-methylidene-N-[1-[8-(2-methylprop-2-enyl)-6H-pyrazolo[1,5-a][1,3]diazepin-5-yl]ethenyl]octa-3,5-dien-1-amine;2,2-dimethylpropane;ethene.
What is the SMILES notation for (3Z,5Z)-5,6-dimethyl-2-methylidene-N-[1-[8-(2-methylprop-2-enyl)-6H-pyrazolo[1,5-a][1,3]diazepin-5-yl]ethenyl]octa-3,5-dien-1-amine;2,2-dimethylpropane;ethene?
The canonical SMILES for (3Z,5Z)-5,6-dimethyl-2-methylidene-N-[1-[8-(2-methylprop-2-enyl)-6H-pyrazolo[1,5-a][1,3]diazepin-5-yl]ethenyl]octa-3,5-dien-1-amine;2,2-dimethylpropane;ethene is C=C.C=C.C=C(C)CC1=CCC(C(=C)NCC(=C)/C=C\C(C)=C(\C)CC)=Nc2ccnn21.CC(C)(C)C.
What is the InChIKey of (3Z,5Z)-5,6-dimethyl-2-methylidene-N-[1-[8-(2-methylprop-2-enyl)-6H-pyrazolo[1,5-a][1,3]diazepin-5-yl]ethenyl]octa-3,5-dien-1-amine;2,2-dimethylpropane;ethene?
The InChIKey is HOCAYEBPJDTYMI-BSEFCPPOSA-N. The full InChI is InChI=1S/C24H32N4.C5H12.2C2H4/c1-8-19(5)20(6)10-9-18(4)16-25-21(7)23-12-11-22(15-17(2)3)28-24(27-23)13-14-26-28;1-5(2,3)4;2*1-2/h9-11,13-14,25H,2,4,7-8,12,15-16H2,1,3,5-6H3;1-4H3;2*1-2H2/b10-9-,20-19-;;;.
What are the key properties of (3Z,5Z)-5,6-dimethyl-2-methylidene-N-[1-[8-(2-methylprop-2-enyl)-6H-pyrazolo[1,5-a][1,3]diazepin-5-yl]ethenyl]octa-3,5-dien-1-amine;2,2-dimethylpropane;ethene?
(3Z,5Z)-5,6-dimethyl-2-methylidene-N-[1-[8-(2-methylprop-2-enyl)-6H-pyrazolo[1,5-a][1,3]diazepin-5-yl]ethenyl]octa-3,5-dien-1-amine;2,2-dimethylpropane;ethene has a molecular weight of 504.81 g/mol, XLogP of 9.79, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-5,6-dimethyl-2-methylidene-N-[1-[8-(2-methylprop-2-enyl)-6H-pyrazolo[1,5-a][1,3]diazepin-5-yl]ethenyl]octa-3,5-dien-1-amine;2,2-dimethylpropane;ethene is sourced from PubChem (CID 143345770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).