(2E)-N-ethyl-3-methylpenta-2,4-dien-1-imine

C8H13N — CID 163837862

IUPAC(2E)-N-ethyl-3-methylpenta-2,4-dien-1-imine
SMILESC=C/C(C)=C/C=N/CC
InChIInChI=1S/C8H13N/c1-4-8(3)6-7-9-5-2/h4,6-7H,1,5H2,2-3H3/b8-6+,9-7+
InChIKeyOJJGLXWRCHTJQJ-CDJQDVQCSA-N
MW123.20 g/mol
LogP2.21
Rot. Bonds3

About (2E)-N-ethyl-3-methylpenta-2,4-dien-1-imine

(2E)-N-ethyl-3-methylpenta-2,4-dien-1-imine (PubChem CID 163837862) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is (2E)-N-ethyl-3-methylpenta-2,4-dien-1-imine.

Molecular Properties

Compound Name(2E)-N-ethyl-3-methylpenta-2,4-dien-1-imine
PubChem CID163837862
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name(2E)-N-ethyl-3-methylpenta-2,4-dien-1-imine
SMILESC=C/C(C)=C/C=N/CC
InChIInChI=1S/C8H13N/c1-4-8(3)6-7-9-5-2/h4,6-7H,1,5H2,2-3H3/b8-6+,9-7+
InChIKeyOJJGLXWRCHTJQJ-CDJQDVQCSA-N
XLogP2.21
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.21
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

2-Aza-2,4,6-heptatriene
CID 59945193
N,3-dimethylpenta-2,4-dien-1-imine
CID 91152501
(2E)-3-methyl-N-(3,3,3-trifluoropropyl)penta-2,4-dien-1-imine
CID 123834038
(2E,4E)-3-fluoro-N-methylhepta-2,4-dien-1-imine
CID 129196363
(2Z)-N-fluoro-3-methylpenta-2,4-dien-1-imine
CID 143887774
(2E)-2-[(E)-2-fluoroethenyl]-N-methylpenta-2,4-dien-1-imine
CID 163583953
4-Methylnona-2,4,6,8-tetraen-1-imine
CID 91326389
sorbaldehyde N-allylimine
CID 129811003
N-[(Z,2Z)-2-(1-fluoroethylidene)pent-3-enyl]ethanimine
CID 142913200
(3,7-Dimethyl-octa-2,4,6-trienylideneamino)-acetonitrile
CID 5371973
3-methyl-N-propylbut-2-en-1-imine
CID 12481042
(Z)-N-ethyl-3-methylpent-2-en-1-imine
CID 14919843

Frequently Asked Questions

What is the IUPAC name of (2E)-N-ethyl-3-methylpenta-2,4-dien-1-imine?
The IUPAC name of (2E)-N-ethyl-3-methylpenta-2,4-dien-1-imine (CID 163837862) is (2E)-N-ethyl-3-methylpenta-2,4-dien-1-imine.
What is the SMILES notation for (2E)-N-ethyl-3-methylpenta-2,4-dien-1-imine?
The canonical SMILES for (2E)-N-ethyl-3-methylpenta-2,4-dien-1-imine is C=C/C(C)=C/C=N/CC.
What is the InChIKey of (2E)-N-ethyl-3-methylpenta-2,4-dien-1-imine?
The InChIKey is OJJGLXWRCHTJQJ-CDJQDVQCSA-N. The full InChI is InChI=1S/C8H13N/c1-4-8(3)6-7-9-5-2/h4,6-7H,1,5H2,2-3H3/b8-6+,9-7+.
What are the key properties of (2E)-N-ethyl-3-methylpenta-2,4-dien-1-imine?
(2E)-N-ethyl-3-methylpenta-2,4-dien-1-imine has a molecular weight of 123.20 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-ethyl-3-methylpenta-2,4-dien-1-imine is sourced from PubChem (CID 163837862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).