(3Z)-3-ethylidene-6-methylhept-5-ene-2,4-diimine

C10H16N2 — CID 123347707

IUPAC(3Z)-3-ethylidene-6-methylhept-5-ene-2,4-diimine
SMILES[H]/N=C(C)/C(=C/C)C(/C=C(C)C)=N/[H]
InChIInChI=1S/C10H16N2/c1-5-9(8(4)11)10(12)6-7(2)3/h5-6,11-12H,1-4H3/b9-5-,11-8+,12-10+
InChIKeyCUBZZHYJDHZYQV-MWIXOWERSA-N
MW164.25 g/mol
LogP2.96
Rot. Bonds3

About (3Z)-3-ethylidene-6-methylhept-5-ene-2,4-diimine

(3Z)-3-ethylidene-6-methylhept-5-ene-2,4-diimine (PubChem CID 123347707) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is (3Z)-3-ethylidene-6-methylhept-5-ene-2,4-diimine.

Molecular Properties

Compound Name(3Z)-3-ethylidene-6-methylhept-5-ene-2,4-diimine
PubChem CID123347707
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name(3Z)-3-ethylidene-6-methylhept-5-ene-2,4-diimine
SMILES[H]/N=C(C)/C(=C/C)C(/C=C(C)C)=N/[H]
InChIInChI=1S/C10H16N2/c1-5-9(8(4)11)10(12)6-7(2)3/h5-6,11-12H,1-4H3/b9-5-,11-8+,12-10+
InChIKeyCUBZZHYJDHZYQV-MWIXOWERSA-N
XLogP2.96
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.96
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

4-(4-Imino-3,5-dimethylcyclohexa-2,5-dien-1-ylidene)-2,6-dimethylcyclohexa-2,5-dien-1-imine
CID 10950233
2,6-Dimethylhepta-2,5-dien-4-imine
CID 23064947
6,10,15,19,23-Pentamethyltetracosa-6,10,14,18,22-pentaen-2-imine
CID 53649182
Toluquinone diimine
CID 57641797
3-Methyl-2-cyclopentenimine
CID 91232431
(Z)-4-imino-2-methylpent-2-enimidoyl fluoride
CID 138494928
(2Z,4E,8E)-5-fluoro-6-methylidenetrideca-2,4,8-trien-7-imine
CID 155049255
(E)-[(5E)-6,10-dimethylundeca-5,9-dien-2-ylidene]hydrazine
CID 134876331
Ethylcyclopentenimine
CID 149143293
(5Z,7E)-8-fluoro-5-methylnona-5,7-dien-4-imine
CID 168202065
4H-1,2-Diazepine, 3,5,7-trimethyl-
CID 585913
2-Ethylidenecyclohexan-1-imine
CID 14026307

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-ethylidene-6-methylhept-5-ene-2,4-diimine?
The IUPAC name of (3Z)-3-ethylidene-6-methylhept-5-ene-2,4-diimine (CID 123347707) is (3Z)-3-ethylidene-6-methylhept-5-ene-2,4-diimine.
What is the SMILES notation for (3Z)-3-ethylidene-6-methylhept-5-ene-2,4-diimine?
The canonical SMILES for (3Z)-3-ethylidene-6-methylhept-5-ene-2,4-diimine is [H]/N=C(C)/C(=C/C)C(/C=C(C)C)=N/[H].
What is the InChIKey of (3Z)-3-ethylidene-6-methylhept-5-ene-2,4-diimine?
The InChIKey is CUBZZHYJDHZYQV-MWIXOWERSA-N. The full InChI is InChI=1S/C10H16N2/c1-5-9(8(4)11)10(12)6-7(2)3/h5-6,11-12H,1-4H3/b9-5-,11-8+,12-10+.
What are the key properties of (3Z)-3-ethylidene-6-methylhept-5-ene-2,4-diimine?
(3Z)-3-ethylidene-6-methylhept-5-ene-2,4-diimine has a molecular weight of 164.25 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-ethylidene-6-methylhept-5-ene-2,4-diimine is sourced from PubChem (CID 123347707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).