(2Z)-2-ethylidenehexane-1,3-diimine

C8H14N2 — CID 123483792

IUPAC(2Z)-2-ethylidenehexane-1,3-diimine
SMILES[H]/N=C/C(=C/C)/C(CCC)=N/[H]
InChIInChI=1S/C8H14N2/c1-3-5-8(10)7(4-2)6-9/h4,6,9-10H,3,5H2,1-2H3/b7-4-,9-6+,10-8+
InChIKeyIGSFLHXJDIIGLD-CAFRVPCPSA-N
MW138.21 g/mol
LogP2.40
Rot. Bonds4

About (2Z)-2-ethylidenehexane-1,3-diimine

(2Z)-2-ethylidenehexane-1,3-diimine (PubChem CID 123483792) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is (2Z)-2-ethylidenehexane-1,3-diimine.

Molecular Properties

Compound Name(2Z)-2-ethylidenehexane-1,3-diimine
PubChem CID123483792
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name(2Z)-2-ethylidenehexane-1,3-diimine
SMILES[H]/N=C/C(=C/C)/C(CCC)=N/[H]
InChIInChI=1S/C8H14N2/c1-3-5-8(10)7(4-2)6-9/h4,6,9-10H,3,5H2,1-2H3/b7-4-,9-6+,10-8+
InChIKeyIGSFLHXJDIIGLD-CAFRVPCPSA-N
XLogP2.40
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.40
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

(E)-5-fluoro-2-methylidenehex-4-ene-1,3-diimine
CID 123197329
4-Ethyl-5-fluoroocta-4,6-diene-1,3-diimine
CID 123282351
(Z)-3-methylpent-2-ene-1,4-diimine
CID 87688718
(Z)-hex-2-ene-1,4-diimine
CID 88171021
(Z)-5-methyl-3-propan-2-ylhex-2-ene-1,4-diimine
CID 88583469
(Z)-N-[(Z)-cyclopenten-1-ylmethylideneamino]ethanimine
CID 88863716
(Z)-2-methylpent-2-ene-1,4-diimine
CID 88986015
(2E,5Z,9Z)-2,5,9-trimethylcyclododeca-2,5,9-trien-1-imine
CID 89038331
6,7-diethyl-4-methyl-4H-diazepine
CID 89204115
(2E)-2-ethylidenehex-5-en-1-imine
CID 89392166
(Z)-3-methylhex-2-en-1-imine
CID 89518707
(2Z,4E,8Z,10Z)-5-methyldodeca-2,4,8,10-tetraene-1,7-diimine
CID 89546275

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-ethylidenehexane-1,3-diimine?
The IUPAC name of (2Z)-2-ethylidenehexane-1,3-diimine (CID 123483792) is (2Z)-2-ethylidenehexane-1,3-diimine.
What is the SMILES notation for (2Z)-2-ethylidenehexane-1,3-diimine?
The canonical SMILES for (2Z)-2-ethylidenehexane-1,3-diimine is [H]/N=C/C(=C/C)/C(CCC)=N/[H].
What is the InChIKey of (2Z)-2-ethylidenehexane-1,3-diimine?
The InChIKey is IGSFLHXJDIIGLD-CAFRVPCPSA-N. The full InChI is InChI=1S/C8H14N2/c1-3-5-8(10)7(4-2)6-9/h4,6,9-10H,3,5H2,1-2H3/b7-4-,9-6+,10-8+.
What are the key properties of (2Z)-2-ethylidenehexane-1,3-diimine?
(2Z)-2-ethylidenehexane-1,3-diimine has a molecular weight of 138.21 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-ethylidenehexane-1,3-diimine is sourced from PubChem (CID 123483792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).