(E)-5-cyclobutyl-4-ethylhex-4-ene-2,3-diimine

C12H20N2 — CID 90713365

IUPAC(E)-5-cyclobutyl-4-ethylhex-4-ene-2,3-diimine
SMILES[H]/N=C(C(\C)=N\[H])/C(CC)=C(\C)C1CCC1
InChIInChI=1S/C12H20N2/c1-4-11(12(14)9(3)13)8(2)10-6-5-7-10/h10,13-14H,4-7H2,1-3H3/b11-8+,13-9+,14-12+
InChIKeyMZLYYRYFQBJPLR-KRWXAHMCSA-N
MW192.31 g/mol
LogP3.57
Rot. Bonds4

About (E)-5-cyclobutyl-4-ethylhex-4-ene-2,3-diimine

(E)-5-cyclobutyl-4-ethylhex-4-ene-2,3-diimine (PubChem CID 90713365) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is (E)-5-cyclobutyl-4-ethylhex-4-ene-2,3-diimine.

Molecular Properties

Compound Name(E)-5-cyclobutyl-4-ethylhex-4-ene-2,3-diimine
PubChem CID90713365
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name(E)-5-cyclobutyl-4-ethylhex-4-ene-2,3-diimine
SMILES[H]/N=C(C(\C)=N\[H])/C(CC)=C(\C)C1CCC1
InChIInChI=1S/C12H20N2/c1-4-11(12(14)9(3)13)8(2)10-6-5-7-10/h10,13-14H,4-7H2,1-3H3/b11-8+,13-9+,14-12+
InChIKeyMZLYYRYFQBJPLR-KRWXAHMCSA-N
XLogP3.57
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3,4-Dimethyloct-3-en-2-imine
CID 91072612
2-Cyclobutylidenehexan-3-imine
CID 123511934
4-(2,3-Dimethylcyclobutyl)-3,5-dimethylhept-3-en-2-imine
CID 123834599
(E)-2,4,5,6-tetramethylhept-4-en-3-imine
CID 134462292
(2S)-2-(3-methylbut-2-en-2-yl)cyclobutan-1-imine
CID 137400368
(E)-4-ethyl-2,5,6-trimethylhept-4-en-3-imine
CID 144523747
4-Methyl-3-propan-2-ylidenehexan-2-imine
CID 154973518
2-Cyclobutylidene-4-methylpentan-3-imine
CID 163664291
3-Propylhept-3-en-2-imine
CID 101387821
(Z)-3-butyl-4-propylhex-3-ene-2,5-diimine
CID 170596715
(Z)-4,5-dimethyl-3-propan-2-ylhept-3-en-2-imine
CID 177986436
3-Butan-2-ylidene-4-ethyloctan-2-imine
CID 178160520

Frequently Asked Questions

What is the IUPAC name of (E)-5-cyclobutyl-4-ethylhex-4-ene-2,3-diimine?
The IUPAC name of (E)-5-cyclobutyl-4-ethylhex-4-ene-2,3-diimine (CID 90713365) is (E)-5-cyclobutyl-4-ethylhex-4-ene-2,3-diimine.
What is the SMILES notation for (E)-5-cyclobutyl-4-ethylhex-4-ene-2,3-diimine?
The canonical SMILES for (E)-5-cyclobutyl-4-ethylhex-4-ene-2,3-diimine is [H]/N=C(C(\C)=N\[H])/C(CC)=C(\C)C1CCC1.
What is the InChIKey of (E)-5-cyclobutyl-4-ethylhex-4-ene-2,3-diimine?
The InChIKey is MZLYYRYFQBJPLR-KRWXAHMCSA-N. The full InChI is InChI=1S/C12H20N2/c1-4-11(12(14)9(3)13)8(2)10-6-5-7-10/h10,13-14H,4-7H2,1-3H3/b11-8+,13-9+,14-12+.
What are the key properties of (E)-5-cyclobutyl-4-ethylhex-4-ene-2,3-diimine?
(E)-5-cyclobutyl-4-ethylhex-4-ene-2,3-diimine has a molecular weight of 192.31 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-cyclobutyl-4-ethylhex-4-ene-2,3-diimine is sourced from PubChem (CID 90713365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).