(2Z,4Z)-N-[(E)-but-2-en-2-yl]hexa-2,4-dien-1-imine

C10H15N — CID 139386101

IUPAC(2Z,4Z)-N-[(E)-but-2-en-2-yl]hexa-2,4-dien-1-imine
SMILESC/C=C\C=C/C=N/C(C)=C/C
InChIInChI=1S/C10H15N/c1-4-6-7-8-9-11-10(3)5-2/h4-9H,1-3H3/b6-4-,8-7-,10-5+,11-9+
InChIKeyITDNVXVCIBAAHR-WDDKBKDASA-N
MW149.24 g/mol
LogP3.11
Rot. Bonds3

About (2Z,4Z)-N-[(E)-but-2-en-2-yl]hexa-2,4-dien-1-imine

(2Z,4Z)-N-[(E)-but-2-en-2-yl]hexa-2,4-dien-1-imine (PubChem CID 139386101) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is (2Z,4Z)-N-[(E)-but-2-en-2-yl]hexa-2,4-dien-1-imine.

Molecular Properties

Compound Name(2Z,4Z)-N-[(E)-but-2-en-2-yl]hexa-2,4-dien-1-imine
PubChem CID139386101
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name(2Z,4Z)-N-[(E)-but-2-en-2-yl]hexa-2,4-dien-1-imine
SMILESC/C=C\C=C/C=N/C(C)=C/C
InChIInChI=1S/C10H15N/c1-4-6-7-8-9-11-10(3)5-2/h4-9H,1-3H3/b6-4-,8-7-,10-5+,11-9+
InChIKeyITDNVXVCIBAAHR-WDDKBKDASA-N
XLogP3.11
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2Z,4Z)-N-methylhexa-2,4-dien-1-imine
CID 88859437
(4E)-5-[[(Z)-but-2-enylidene]amino]-N,2-dimethylhexa-2,4-dien-3-amine
CID 134485442
methane;(2E,4Z,6E)-octa-2,4,6-triene
CID 176713447
(4E)-hexa-2,4-diene
CID 22435466
1-[(Z)-[(Z)-but-2-enylidene]amino]ethenol
CID 143375419
2-methyltetradeca-2,4,6,8,10,12-hexaene
CID 72567686
2-methyldeca-2,4,6,8-tetraene
CID 123313204
(2E,4E,6Z)-N,3,4-trimethylocta-2,4,6-trien-1-imine
CID 166983281
1-[(Z)-[(Z)-but-2-enylidene]amino]ethenamine
CID 90382047
(1E,2Z,4Z)-1-(aminohydrazinylidene)hexa-2,4-diene
CID 145157850
ethane;(2Z,4Z)-hexa-2,4-diene
CID 90738434
(2E,4Z,6E)-N,2-dimethylocta-2,4,6-trien-1-imine
CID 134195974

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-N-[(E)-but-2-en-2-yl]hexa-2,4-dien-1-imine?
The IUPAC name of (2Z,4Z)-N-[(E)-but-2-en-2-yl]hexa-2,4-dien-1-imine (CID 139386101) is (2Z,4Z)-N-[(E)-but-2-en-2-yl]hexa-2,4-dien-1-imine.
What is the SMILES notation for (2Z,4Z)-N-[(E)-but-2-en-2-yl]hexa-2,4-dien-1-imine?
The canonical SMILES for (2Z,4Z)-N-[(E)-but-2-en-2-yl]hexa-2,4-dien-1-imine is C/C=C\C=C/C=N/C(C)=C/C.
What is the InChIKey of (2Z,4Z)-N-[(E)-but-2-en-2-yl]hexa-2,4-dien-1-imine?
The InChIKey is ITDNVXVCIBAAHR-WDDKBKDASA-N. The full InChI is InChI=1S/C10H15N/c1-4-6-7-8-9-11-10(3)5-2/h4-9H,1-3H3/b6-4-,8-7-,10-5+,11-9+.
What are the key properties of (2Z,4Z)-N-[(E)-but-2-en-2-yl]hexa-2,4-dien-1-imine?
(2Z,4Z)-N-[(E)-but-2-en-2-yl]hexa-2,4-dien-1-imine has a molecular weight of 149.24 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-N-[(E)-but-2-en-2-yl]hexa-2,4-dien-1-imine is sourced from PubChem (CID 139386101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).