(Z)-N-[(2E,4Z)-2-methylhexa-2,4-dienyl]but-2-en-1-imine

C11H17N — CID 167138679

IUPAC(Z)-N-[(2E,4Z)-2-methylhexa-2,4-dienyl]but-2-en-1-imine
SMILESC/C=C\C=N\C/C(C)=C/C=C\C
InChIInChI=1S/C11H17N/c1-4-6-8-11(3)10-12-9-7-5-2/h4-9H,10H2,1-3H3/b6-4-,7-5-,11-8+,12-9+
InChIKeyBAPNJUDPVYTSPS-MQHORPBMSA-N
MW163.26 g/mol
LogP3.16
Rot. Bonds4

About (Z)-N-[(2E,4Z)-2-methylhexa-2,4-dienyl]but-2-en-1-imine

(Z)-N-[(2E,4Z)-2-methylhexa-2,4-dienyl]but-2-en-1-imine (PubChem CID 167138679) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is (Z)-N-[(2E,4Z)-2-methylhexa-2,4-dienyl]but-2-en-1-imine.

Molecular Properties

Compound Name(Z)-N-[(2E,4Z)-2-methylhexa-2,4-dienyl]but-2-en-1-imine
PubChem CID167138679
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name(Z)-N-[(2E,4Z)-2-methylhexa-2,4-dienyl]but-2-en-1-imine
SMILESC/C=C\C=N\C/C(C)=C/C=C\C
InChIInChI=1S/C11H17N/c1-4-6-8-11(3)10-12-9-7-5-2/h4-9H,10H2,1-3H3/b6-4-,7-5-,11-8+,12-9+
InChIKeyBAPNJUDPVYTSPS-MQHORPBMSA-N
XLogP3.16
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 53.16
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'}

Analyze (Z)-N-[(2E,4Z)-2-methylhexa-2,4-dienyl]but-2-en-1-imine with MolForge

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Related Compounds

N-(2-methylhexa-2,4-dienyl)ethanimine
CID 123470276
3-methyl-N-[(2E,4Z)-2-methylhexa-2,4-dienyl]pentan-2-imine
CID 178092345
N-[(2E,4Z)-2-methylhexa-2,4-dienyl]-1-phenylethanimine
CID 144645018
ethane;(4E,6Z)-4-methylocta-1,4,6-triene
CID 142893307
(2Z,4Z)-7,7,7-trifluoro-5-methylhepta-2,4-diene
CID 142114601
(2E,4E)-5-methyldeca-2,4-diene
CID 14899750
(Z)-4-[[(Z)-but-2-enylidene]amino]but-2-en-1-amine
CID 144857309
(2E,4Z,6Z)-2-methylocta-2,4,6-trien-1-ol
CID 89381330
(2E,4E,6Z)-N,3,4-trimethylocta-2,4,6-trien-1-imine
CID 166983281
(2E,4E)-5-methyldodeca-2,4-diene
CID 143978306
(5E,7Z)-5-methylnona-5,7-dien-2-ol
CID 142261527
(7E,9Z)-2,7-dimethylundeca-1,7,9-triene
CID 142166424

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(2E,4Z)-2-methylhexa-2,4-dienyl]but-2-en-1-imine?
The IUPAC name of (Z)-N-[(2E,4Z)-2-methylhexa-2,4-dienyl]but-2-en-1-imine (CID 167138679) is (Z)-N-[(2E,4Z)-2-methylhexa-2,4-dienyl]but-2-en-1-imine.
What is the SMILES notation for (Z)-N-[(2E,4Z)-2-methylhexa-2,4-dienyl]but-2-en-1-imine?
The canonical SMILES for (Z)-N-[(2E,4Z)-2-methylhexa-2,4-dienyl]but-2-en-1-imine is C/C=C\C=N\C/C(C)=C/C=C\C.
What is the InChIKey of (Z)-N-[(2E,4Z)-2-methylhexa-2,4-dienyl]but-2-en-1-imine?
The InChIKey is BAPNJUDPVYTSPS-MQHORPBMSA-N. The full InChI is InChI=1S/C11H17N/c1-4-6-8-11(3)10-12-9-7-5-2/h4-9H,10H2,1-3H3/b6-4-,7-5-,11-8+,12-9+.
What are the key properties of (Z)-N-[(2E,4Z)-2-methylhexa-2,4-dienyl]but-2-en-1-imine?
(Z)-N-[(2E,4Z)-2-methylhexa-2,4-dienyl]but-2-en-1-imine has a molecular weight of 163.26 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(2E,4Z)-2-methylhexa-2,4-dienyl]but-2-en-1-imine is sourced from PubChem (CID 167138679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).