(Z,3E)-3-[(ethylideneamino)methylidene]-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]hex-4-en-2-imine

C15H22N2 — CID 126661623

IUPAC(Z,3E)-3-[(ethylideneamino)methylidene]-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]hex-4-en-2-imine
SMILESC=C(C)C(=C/C)/N=C(C)\C(/C=C\C)=C\N=C\C
InChIInChI=1S/C15H22N2/c1-7-10-14(11-16-9-3)13(6)17-15(8-2)12(4)5/h7-11H,4H2,1-3,5-6H3/b10-7-,14-11+,15-8-,16-9+,17-13+
InChIKeyCMDKYDMLHWTJPA-GOENOWBZSA-N
MW230.35 g/mol
LogP4.48
Rot. Bonds5

About (Z,3E)-3-[(ethylideneamino)methylidene]-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]hex-4-en-2-imine

(Z,3E)-3-[(ethylideneamino)methylidene]-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]hex-4-en-2-imine (PubChem CID 126661623) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is (Z,3E)-3-[(ethylideneamino)methylidene]-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]hex-4-en-2-imine.

Molecular Properties

Compound Name(Z,3E)-3-[(ethylideneamino)methylidene]-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]hex-4-en-2-imine
PubChem CID126661623
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name(Z,3E)-3-[(ethylideneamino)methylidene]-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]hex-4-en-2-imine
SMILESC=C(C)C(=C/C)/N=C(C)\C(/C=C\C)=C\N=C\C
InChIInChI=1S/C15H22N2/c1-7-10-14(11-16-9-3)13(6)17-15(8-2)12(4)5/h7-11H,4H2,1-3,5-6H3/b10-7-,14-11+,15-8-,16-9+,17-13+
InChIKeyCMDKYDMLHWTJPA-GOENOWBZSA-N
XLogP4.48
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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1h Pyrido[4,3 b]indole
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Pyrrolo[3,2-b]carbazole
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Pyrrolo[3,4 b]carbazole
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Pyrrolo[3,4-a]carbazole
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Pyrroloindole
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Pyrrolobenzazepine
CID 88072644
(E)-N-[3-(ethenyliminomethyl)buta-1,3-dien-2-yl]-6,6,6-trifluoro-5-methylhex-4-en-3-imine
CID 123431326
(3E)-3-fluoro-4-[[(5Z)-6-methyl-3-methylidene-4-propan-2-ylideneocta-5,7-dien-2-ylidene]amino]buta-1,3-dien-2-amine
CID 130336733

Frequently Asked Questions

What is the IUPAC name of (Z,3E)-3-[(ethylideneamino)methylidene]-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]hex-4-en-2-imine?
The IUPAC name of (Z,3E)-3-[(ethylideneamino)methylidene]-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]hex-4-en-2-imine (CID 126661623) is (Z,3E)-3-[(ethylideneamino)methylidene]-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]hex-4-en-2-imine.
What is the SMILES notation for (Z,3E)-3-[(ethylideneamino)methylidene]-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]hex-4-en-2-imine?
The canonical SMILES for (Z,3E)-3-[(ethylideneamino)methylidene]-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]hex-4-en-2-imine is C=C(C)C(=C/C)/N=C(C)\C(/C=C\C)=C\N=C\C.
What is the InChIKey of (Z,3E)-3-[(ethylideneamino)methylidene]-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]hex-4-en-2-imine?
The InChIKey is CMDKYDMLHWTJPA-GOENOWBZSA-N. The full InChI is InChI=1S/C15H22N2/c1-7-10-14(11-16-9-3)13(6)17-15(8-2)12(4)5/h7-11H,4H2,1-3,5-6H3/b10-7-,14-11+,15-8-,16-9+,17-13+.
What are the key properties of (Z,3E)-3-[(ethylideneamino)methylidene]-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]hex-4-en-2-imine?
(Z,3E)-3-[(ethylideneamino)methylidene]-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]hex-4-en-2-imine has a molecular weight of 230.35 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3E)-3-[(ethylideneamino)methylidene]-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]hex-4-en-2-imine is sourced from PubChem (CID 126661623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).