(2E,4Z)-3,4-diethylhexa-2,4-dien-1-imine;propane

C13H25N — CID 143467837

IUPAC(2E,4Z)-3,4-diethylhexa-2,4-dien-1-imine;propane
SMILESCCC.[H]/N=C/C=C(CC)/C(=C\C)CC
InChIInChI=1S/C10H17N.C3H8/c1-4-9(5-2)10(6-3)7-8-11;1-3-2/h4,7-8,11H,5-6H2,1-3H3;3H2,1-2H3/b9-4-,10-7+,11-8+;
InChIKeyLJJLTOLXWZLWBR-KTTPABOKSA-N
MW195.35 g/mol
LogP4.74
Rot. Bonds4

About (2E,4Z)-3,4-diethylhexa-2,4-dien-1-imine;propane

(2E,4Z)-3,4-diethylhexa-2,4-dien-1-imine;propane (PubChem CID 143467837) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is (2E,4Z)-3,4-diethylhexa-2,4-dien-1-imine;propane.

Molecular Properties

Compound Name(2E,4Z)-3,4-diethylhexa-2,4-dien-1-imine;propane
PubChem CID143467837
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name(2E,4Z)-3,4-diethylhexa-2,4-dien-1-imine;propane
SMILESCCC.[H]/N=C/C=C(CC)/C(=C\C)CC
InChIInChI=1S/C10H17N.C3H8/c1-4-9(5-2)10(6-3)7-8-11;1-3-2/h4,7-8,11H,5-6H2,1-3H3;3H2,1-2H3/b9-4-,10-7+,11-8+;
InChIKeyLJJLTOLXWZLWBR-KTTPABOKSA-N
XLogP4.74
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 54.74
H-Bond Donors ≤ 51
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

(Z)-2-ethyl-4-iminobut-2-enimidoyl chloride
CID 170214305
(2Z)-3-ethenyl-4-methylpenta-2,4-dien-1-imine;propane
CID 143747479
ethane;(Z,2E)-3-ethyl-2-ethylidenepent-3-en-1-ol
CID 143085238
(E)-3-propan-2-yloct-2-en-1-imine
CID 166687448
(2Z,4E)-1-iminohepta-2,4-dien-3-amine
CID 155149105
3-N-ethylidenebut-2-ene-1,3-diimine
CID 91606958
4-ethylhexa-2,3-dien-1-imine
CID 20549625
ethane;(Z)-2-methylbut-2-ene-1,4-diimine
CID 142083351
(E)-5-imino-3-methylpent-3-en-2-one
CID 90907601
3-butyl-4-methylhepta-2,6-dien-1-imine
CID 123647408
ethane;(3Z,5Z)-5-ethyl-4-propylhepta-1,3,5-triene
CID 143333904
(2Z,4Z)-3-ethenylhexa-2,4-dien-1-imine
CID 122644792

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-3,4-diethylhexa-2,4-dien-1-imine;propane?
The IUPAC name of (2E,4Z)-3,4-diethylhexa-2,4-dien-1-imine;propane (CID 143467837) is (2E,4Z)-3,4-diethylhexa-2,4-dien-1-imine;propane.
What is the SMILES notation for (2E,4Z)-3,4-diethylhexa-2,4-dien-1-imine;propane?
The canonical SMILES for (2E,4Z)-3,4-diethylhexa-2,4-dien-1-imine;propane is CCC.[H]/N=C/C=C(CC)/C(=C\C)CC.
What is the InChIKey of (2E,4Z)-3,4-diethylhexa-2,4-dien-1-imine;propane?
The InChIKey is LJJLTOLXWZLWBR-KTTPABOKSA-N. The full InChI is InChI=1S/C10H17N.C3H8/c1-4-9(5-2)10(6-3)7-8-11;1-3-2/h4,7-8,11H,5-6H2,1-3H3;3H2,1-2H3/b9-4-,10-7+,11-8+;.
What are the key properties of (2E,4Z)-3,4-diethylhexa-2,4-dien-1-imine;propane?
(2E,4Z)-3,4-diethylhexa-2,4-dien-1-imine;propane has a molecular weight of 195.35 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-3,4-diethylhexa-2,4-dien-1-imine;propane is sourced from PubChem (CID 143467837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).