(Z)-3,4-diethylhex-3-ene-2,5-diimine

C10H18N2 — CID 145074816

IUPAC(Z)-3,4-diethylhex-3-ene-2,5-diimine
SMILES[H]/N=C(C)/C(CC)=C(CC)\C(C)=N\[H]
InChIInChI=1S/C10H18N2/c1-5-9(7(3)11)10(6-2)8(4)12/h11-12H,5-6H2,1-4H3/b10-9-,11-7+,12-8+
InChIKeyMVRQDTFDFNDFNH-GJXBOELXSA-N
MW166.27 g/mol
LogP3.18
Rot. Bonds4

About (Z)-3,4-diethylhex-3-ene-2,5-diimine

(Z)-3,4-diethylhex-3-ene-2,5-diimine (PubChem CID 145074816) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is (Z)-3,4-diethylhex-3-ene-2,5-diimine.

Molecular Properties

Compound Name(Z)-3,4-diethylhex-3-ene-2,5-diimine
PubChem CID145074816
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name(Z)-3,4-diethylhex-3-ene-2,5-diimine
SMILES[H]/N=C(C)/C(CC)=C(CC)\C(C)=N\[H]
InChIInChI=1S/C10H18N2/c1-5-9(7(3)11)10(6-2)8(4)12/h11-12H,5-6H2,1-4H3/b10-9-,11-7+,12-8+
InChIKeyMVRQDTFDFNDFNH-GJXBOELXSA-N
XLogP3.18
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

6-Methyl-3-propan-2-ylidenehept-5-en-2-imine
CID 21319963
2,3,5,6-Tetramethylcyclohexa-2,5-diene-1,4-diimine
CID 57128446
4-Ethyl-3-methylhex-3-en-2-imine
CID 88311275
3,4-Dimethylcyclobut-3-ene-1,2-diimine
CID 89256596
3,4-Dimethylhex-3-en-2-imine
CID 90892310
3,4-Dimethyloct-3-en-2-imine
CID 91072612
3,4-Dimethylpent-3-en-2-imine
CID 91089455
(Z)-3-ethylhex-3-en-2-imine
CID 91585988
(E)-3,4,5-trimethylhex-3-en-2-imine
CID 117717663
(3Z)-3-ethylidene-6-methylhept-5-ene-2,4-diimine
CID 123347707
2,3-Dimethylnon-2-en-4-imine
CID 123464515
2-Cyclobutylidenehexan-3-imine
CID 123511934

Frequently Asked Questions

What is the IUPAC name of (Z)-3,4-diethylhex-3-ene-2,5-diimine?
The IUPAC name of (Z)-3,4-diethylhex-3-ene-2,5-diimine (CID 145074816) is (Z)-3,4-diethylhex-3-ene-2,5-diimine.
What is the SMILES notation for (Z)-3,4-diethylhex-3-ene-2,5-diimine?
The canonical SMILES for (Z)-3,4-diethylhex-3-ene-2,5-diimine is [H]/N=C(C)/C(CC)=C(CC)\C(C)=N\[H].
What is the InChIKey of (Z)-3,4-diethylhex-3-ene-2,5-diimine?
The InChIKey is MVRQDTFDFNDFNH-GJXBOELXSA-N. The full InChI is InChI=1S/C10H18N2/c1-5-9(7(3)11)10(6-2)8(4)12/h11-12H,5-6H2,1-4H3/b10-9-,11-7+,12-8+.
What are the key properties of (Z)-3,4-diethylhex-3-ene-2,5-diimine?
(Z)-3,4-diethylhex-3-ene-2,5-diimine has a molecular weight of 166.27 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3,4-diethylhex-3-ene-2,5-diimine is sourced from PubChem (CID 145074816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).