(Z,2Z)-2-ethylidene-3-N-methylhex-4-ene-1,3-diimine

C9H14N2 — CID 123844789

IUPAC(Z,2Z)-2-ethylidene-3-N-methylhex-4-ene-1,3-diimine
SMILES[H]/N=C/C(=C/C)C(/C=C\C)=N/C
InChIInChI=1S/C9H14N2/c1-4-6-9(11-3)8(5-2)7-10/h4-7,10H,1-3H3/b6-4-,8-5-,10-7+,11-9+
InChIKeySQOWKYSUZQSAHX-QSBQGZCDSA-N
MW150.22 g/mol
LogP2.23
Rot. Bonds3

About (Z,2Z)-2-ethylidene-3-N-methylhex-4-ene-1,3-diimine

(Z,2Z)-2-ethylidene-3-N-methylhex-4-ene-1,3-diimine (PubChem CID 123844789) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is (Z,2Z)-2-ethylidene-3-N-methylhex-4-ene-1,3-diimine.

Molecular Properties

Compound Name(Z,2Z)-2-ethylidene-3-N-methylhex-4-ene-1,3-diimine
PubChem CID123844789
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name(Z,2Z)-2-ethylidene-3-N-methylhex-4-ene-1,3-diimine
SMILES[H]/N=C/C(=C/C)C(/C=C\C)=N/C
InChIInChI=1S/C9H14N2/c1-4-6-9(11-3)8(5-2)7-10/h4-7,10H,1-3H3/b6-4-,8-5-,10-7+,11-9+
InChIKeySQOWKYSUZQSAHX-QSBQGZCDSA-N
XLogP2.23
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.23
H-Bond Donors ≤ 51
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
1-(2-Ethylpyrrol-2-yl)ethanimine
CID 57211117
2,6-Dihydroazepin-3-imine
CID 57316147
(3Z)-3-ethylidene-N-methylpyridin-4-imine
CID 68179744
(6Z)-6-[(2-methylpropylideneamino)methylidene]cyclohexa-2,4-dien-1-imine
CID 69924450
(Z)-3-methylpent-2-ene-1,4-diimine
CID 87688718
(Z)-hex-2-ene-1,4-diimine
CID 88171021
(6Z)-6-(2-iminoethylidene)cyclohexa-2,4-dien-1-imine
CID 88409253
(Z)-5,5-dimethylhex-2-ene-1,4-diimine
CID 88945909
(Z)-2-methylpent-2-ene-1,4-diimine
CID 88986015
(Z)-2-ethyl-N,N'-dimethylbut-2-ene-1,4-diimine
CID 89370186
4-methyl-2H-pyridin-3-imine
CID 89382802

Frequently Asked Questions

What is the IUPAC name of (Z,2Z)-2-ethylidene-3-N-methylhex-4-ene-1,3-diimine?
The IUPAC name of (Z,2Z)-2-ethylidene-3-N-methylhex-4-ene-1,3-diimine (CID 123844789) is (Z,2Z)-2-ethylidene-3-N-methylhex-4-ene-1,3-diimine.
What is the SMILES notation for (Z,2Z)-2-ethylidene-3-N-methylhex-4-ene-1,3-diimine?
The canonical SMILES for (Z,2Z)-2-ethylidene-3-N-methylhex-4-ene-1,3-diimine is [H]/N=C/C(=C/C)C(/C=C\C)=N/C.
What is the InChIKey of (Z,2Z)-2-ethylidene-3-N-methylhex-4-ene-1,3-diimine?
The InChIKey is SQOWKYSUZQSAHX-QSBQGZCDSA-N. The full InChI is InChI=1S/C9H14N2/c1-4-6-9(11-3)8(5-2)7-10/h4-7,10H,1-3H3/b6-4-,8-5-,10-7+,11-9+.
What are the key properties of (Z,2Z)-2-ethylidene-3-N-methylhex-4-ene-1,3-diimine?
(Z,2Z)-2-ethylidene-3-N-methylhex-4-ene-1,3-diimine has a molecular weight of 150.22 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2Z)-2-ethylidene-3-N-methylhex-4-ene-1,3-diimine is sourced from PubChem (CID 123844789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).