ethane;(5Z)-2-ethenyl-6-ethenylimino-5-ethylidene-N,N-dimethyl-4-methylidene-3-prop-2-enyliminocyclohexen-1-amine;2-methylbuta-1,3-diene

C25H37N3 — CID 143718928

IUPACethane;(5Z)-2-ethenyl-6-ethenylimino-5-ethylidene-N,N-dimethyl-4-methylidene-3-prop-2-enyliminocyclohexen-1-amine;2-methylbuta-1,3-diene
SMILESC=CC(=C)C.C=CC/N=C1\C(=C)C(=C/C)/C(=N\C=C)C(N(C)C)=C1C=C.CC
InChIInChI=1S/C18H23N3.C5H8.C2H6/c1-8-12-20-16-13(5)14(9-2)17(19-11-4)18(21(6)7)15(16)10-3;1-4-5(2)3;1-2/h8-11H,1,3-5,12H2,2,6-7H3;4H,1-2H2,3H3;1-2H3/b14-9-,19-17+,20-16+;;
InChIKeyPVVBGCHLRAHVNG-OPFXNHRMSA-N
MW379.59 g/mol
LogP6.49
Rot. Bonds6

About ethane;(5Z)-2-ethenyl-6-ethenylimino-5-ethylidene-N,N-dimethyl-4-methylidene-3-prop-2-enyliminocyclohexen-1-amine;2-methylbuta-1,3-diene

ethane;(5Z)-2-ethenyl-6-ethenylimino-5-ethylidene-N,N-dimethyl-4-methylidene-3-prop-2-enyliminocyclohexen-1-amine;2-methylbuta-1,3-diene (PubChem CID 143718928) has the molecular formula C25H37N3 and a molecular weight of 379.59 g/mol. Its IUPAC name is ethane;(5Z)-2-ethenyl-6-ethenylimino-5-ethylidene-N,N-dimethyl-4-methylidene-3-prop-2-enyliminocyclohexen-1-amine;2-methylbuta-1,3-diene.

Molecular Properties

Compound Nameethane;(5Z)-2-ethenyl-6-ethenylimino-5-ethylidene-N,N-dimethyl-4-methylidene-3-prop-2-enyliminocyclohexen-1-amine;2-methylbuta-1,3-diene
PubChem CID143718928
Molecular FormulaC25H37N3
Molecular Weight379.59 g/mol
Exact Mass379.30
IUPAC Nameethane;(5Z)-2-ethenyl-6-ethenylimino-5-ethylidene-N,N-dimethyl-4-methylidene-3-prop-2-enyliminocyclohexen-1-amine;2-methylbuta-1,3-diene
SMILESC=CC(=C)C.C=CC/N=C1\C(=C)C(=C/C)/C(=N\C=C)C(N(C)C)=C1C=C.CC
InChIInChI=1S/C18H23N3.C5H8.C2H6/c1-8-12-20-16-13(5)14(9-2)17(19-11-4)18(21(6)7)15(16)10-3;1-4-5(2)3;1-2/h8-11H,1,3-5,12H2,2,6-7H3;4H,1-2H2,3H3;1-2H3/b14-9-,19-17+,20-16+;;
InChIKeyPVVBGCHLRAHVNG-OPFXNHRMSA-N
XLogP6.49
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.59
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze ethane;(5Z)-2-ethenyl-6-ethenylimino-5-ethylidene-N,N-dimethyl-4-methylidene-3-prop-2-enyliminocyclohexen-1-amine;2-methylbuta-1,3-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;(5Z)-2-ethenyl-6-ethenylimino-5-ethylidene-N,N-dimethyl-4-methylidene-3-prop-2-enyliminocyclohexen-1-amine;2-methylbuta-1,3-diene?
The IUPAC name of ethane;(5Z)-2-ethenyl-6-ethenylimino-5-ethylidene-N,N-dimethyl-4-methylidene-3-prop-2-enyliminocyclohexen-1-amine;2-methylbuta-1,3-diene (CID 143718928) is ethane;(5Z)-2-ethenyl-6-ethenylimino-5-ethylidene-N,N-dimethyl-4-methylidene-3-prop-2-enyliminocyclohexen-1-amine;2-methylbuta-1,3-diene.
What is the SMILES notation for ethane;(5Z)-2-ethenyl-6-ethenylimino-5-ethylidene-N,N-dimethyl-4-methylidene-3-prop-2-enyliminocyclohexen-1-amine;2-methylbuta-1,3-diene?
The canonical SMILES for ethane;(5Z)-2-ethenyl-6-ethenylimino-5-ethylidene-N,N-dimethyl-4-methylidene-3-prop-2-enyliminocyclohexen-1-amine;2-methylbuta-1,3-diene is C=CC(=C)C.C=CC/N=C1\C(=C)C(=C/C)/C(=N\C=C)C(N(C)C)=C1C=C.CC.
What is the InChIKey of ethane;(5Z)-2-ethenyl-6-ethenylimino-5-ethylidene-N,N-dimethyl-4-methylidene-3-prop-2-enyliminocyclohexen-1-amine;2-methylbuta-1,3-diene?
The InChIKey is PVVBGCHLRAHVNG-OPFXNHRMSA-N. The full InChI is InChI=1S/C18H23N3.C5H8.C2H6/c1-8-12-20-16-13(5)14(9-2)17(19-11-4)18(21(6)7)15(16)10-3;1-4-5(2)3;1-2/h8-11H,1,3-5,12H2,2,6-7H3;4H,1-2H2,3H3;1-2H3/b14-9-,19-17+,20-16+;;.
What are the key properties of ethane;(5Z)-2-ethenyl-6-ethenylimino-5-ethylidene-N,N-dimethyl-4-methylidene-3-prop-2-enyliminocyclohexen-1-amine;2-methylbuta-1,3-diene?
ethane;(5Z)-2-ethenyl-6-ethenylimino-5-ethylidene-N,N-dimethyl-4-methylidene-3-prop-2-enyliminocyclohexen-1-amine;2-methylbuta-1,3-diene has a molecular weight of 379.59 g/mol, XLogP of 6.49, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(5Z)-2-ethenyl-6-ethenylimino-5-ethylidene-N,N-dimethyl-4-methylidene-3-prop-2-enyliminocyclohexen-1-amine;2-methylbuta-1,3-diene is sourced from PubChem (CID 143718928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).