N-[(2E,4Z)-hexa-2,4-dien-3-yl]methanimine

C7H11N — CID 142024133

IUPACN-[(2E,4Z)-hexa-2,4-dien-3-yl]methanimine
SMILESC=NC(/C=C\C)=C/C
InChIInChI=1S/C7H11N/c1-4-6-7(5-2)8-3/h4-6H,3H2,1-2H3/b6-4-,7-5+
InChIKeyODPCYLCNZIPDDA-XGXWUAJZSA-N
MW109.17 g/mol
LogP2.17
Rot. Bonds2

About N-[(2E,4Z)-hexa-2,4-dien-3-yl]methanimine

N-[(2E,4Z)-hexa-2,4-dien-3-yl]methanimine (PubChem CID 142024133) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is N-[(2E,4Z)-hexa-2,4-dien-3-yl]methanimine.

Molecular Properties

Compound NameN-[(2E,4Z)-hexa-2,4-dien-3-yl]methanimine
PubChem CID142024133
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC NameN-[(2E,4Z)-hexa-2,4-dien-3-yl]methanimine
SMILESC=NC(/C=C\C)=C/C
InChIInChI=1S/C7H11N/c1-4-6-7(5-2)8-3/h4-6H,3H2,1-2H3/b6-4-,7-5+
InChIKeyODPCYLCNZIPDDA-XGXWUAJZSA-N
XLogP2.17
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 52.17
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

acetaldehyde;N-[(2Z,4E)-hexa-2,4-dien-3-yl]methanimine
CID 142835629
N-[(2Z,4Z)-3-methylhexa-2,4-dien-2-yl]methanimine
CID 139436221
(1Z,3Z)-2-methyl-1-(methylideneamino)penta-1,3-dien-1-amine
CID 142933164
N-[(1Z,3E)-2-methylpenta-1,3-dienyl]methanimine
CID 89119181
(3Z,5Z)-4-(methylideneamino)hepta-1,3,5-triene-3-thiol
CID 143498484
(1E,3Z,4Z)-3-ethylidene-2-(methylideneamino)hexa-1,4-dien-1-amine
CID 166695623
ethene;(2E,4Z)-3-fluorohexa-2,4-diene
CID 143779998
ethane;N-[(1E,3Z)-2-methylpenta-1,3-dienyl]methanimine
CID 143747590
N-[(1Z,3Z)-1-chloro-2-(trifluoromethyl)penta-1,3-dienyl]methanimine
CID 162583769
N-[(2Z,4Z)-hexa-2,4-dien-3-yl]pentan-2-imine
CID 142099496
(3E,5Z)-2-bromo-4-fluorohepta-1,3,5-triene
CID 142091470
1,2-dimethyl-3-methylidene-1-[(3Z)-penta-1,3-dien-2-yl]guanidine
CID 166953787

Frequently Asked Questions

What is the IUPAC name of N-[(2E,4Z)-hexa-2,4-dien-3-yl]methanimine?
The IUPAC name of N-[(2E,4Z)-hexa-2,4-dien-3-yl]methanimine (CID 142024133) is N-[(2E,4Z)-hexa-2,4-dien-3-yl]methanimine.
What is the SMILES notation for N-[(2E,4Z)-hexa-2,4-dien-3-yl]methanimine?
The canonical SMILES for N-[(2E,4Z)-hexa-2,4-dien-3-yl]methanimine is C=NC(/C=C\C)=C/C.
What is the InChIKey of N-[(2E,4Z)-hexa-2,4-dien-3-yl]methanimine?
The InChIKey is ODPCYLCNZIPDDA-XGXWUAJZSA-N. The full InChI is InChI=1S/C7H11N/c1-4-6-7(5-2)8-3/h4-6H,3H2,1-2H3/b6-4-,7-5+.
What are the key properties of N-[(2E,4Z)-hexa-2,4-dien-3-yl]methanimine?
N-[(2E,4Z)-hexa-2,4-dien-3-yl]methanimine has a molecular weight of 109.17 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,4Z)-hexa-2,4-dien-3-yl]methanimine is sourced from PubChem (CID 142024133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).