3-N-ethylidene-4-methylhex-2-ene-1,3-diimine

C9H16N2 — CID 123537731

IUPAC3-N-ethylidene-4-methylhex-2-ene-1,3-diimine
SMILES[H]/N=C/C=C(/N=C/C)C(C)CC
InChIInChI=1S/C9H16N2/c1-4-8(3)9(6-7-10)11-5-2/h5-8,10H,4H2,1-3H3/b9-6?,10-7+,11-5+
InChIKeyOJFZTRWVIQJOAN-FPIZADIQSA-N
MW152.24 g/mol
LogP2.66
Rot. Bonds4

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

3-N-ethylidene-4-methylhex-2-ene-1,3-diimine (PubChem CID 123537731) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 3-N-ethylidene-4-methylhex-2-ene-1,3-diimine.

Molecular Properties

Compound Name3-N-ethylidene-4-methylhex-2-ene-1,3-diimine
PubChem CID123537731
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name3-N-ethylidene-4-methylhex-2-ene-1,3-diimine
SMILES[H]/N=C/C=C(/N=C/C)C(C)CC
InChIInChI=1S/C9H16N2/c1-4-8(3)9(6-7-10)11-5-2/h5-8,10H,4H2,1-3H3/b9-6?,10-7+,11-5+
InChIKeyOJFZTRWVIQJOAN-FPIZADIQSA-N
XLogP2.66
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.66
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)-2-fluoro-4-methyl-N-prop-1-en-2-ylhex-2-en-1-imine
CID 139317360
1-(2-Fluoropropylimino)-4-methylpent-2-en-3-amine
CID 173933086
1-(2-Fluoro-3-methylbut-3-enyl)imino-4-methylpent-2-en-3-amine
CID 173933091
(Z)-1-tert-butyliminopent-2-en-3-amine
CID 10986475
5-(2-methylpropyl)-3H-pyrrole
CID 22094961
3-Tert-butylimino-1-cyclopropylprop-1-en-1-amine
CID 73110243
6-Methyl-2-propan-2-yliminohept-3-en-4-amine
CID 87697171
(4E,6Z,9Z)-11-imino-8-methylundeca-4,6,9-trien-4-amine
CID 88997174
(Z)-4-(4-methylpent-1-en-2-ylimino)but-2-en-2-amine
CID 89170044
(Z)-4-(1-cyclopropylethenylimino)but-2-en-2-amine
CID 89170167
(Z)-1-ethylimino-4-methylpent-2-en-3-amine
CID 89174968
N-[(Z)-5-methylhex-2-en-2-yl]ethanimine
CID 89193948

Frequently Asked Questions

What is the IUPAC name of 3-N-ethylidene-4-methylhex-2-ene-1,3-diimine?
The IUPAC name of 3-N-ethylidene-4-methylhex-2-ene-1,3-diimine (CID 123537731) is 3-N-ethylidene-4-methylhex-2-ene-1,3-diimine.
What is the SMILES notation for 3-N-ethylidene-4-methylhex-2-ene-1,3-diimine?
The canonical SMILES for 3-N-ethylidene-4-methylhex-2-ene-1,3-diimine is [H]/N=C/C=C(/N=C/C)C(C)CC.
What is the InChIKey of 3-N-ethylidene-4-methylhex-2-ene-1,3-diimine?
The InChIKey is OJFZTRWVIQJOAN-FPIZADIQSA-N. The full InChI is InChI=1S/C9H16N2/c1-4-8(3)9(6-7-10)11-5-2/h5-8,10H,4H2,1-3H3/b9-6?,10-7+,11-5+.
What are the key properties of 3-N-ethylidene-4-methylhex-2-ene-1,3-diimine?
3-N-ethylidene-4-methylhex-2-ene-1,3-diimine has a molecular weight of 152.24 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethylidene-4-methylhex-2-ene-1,3-diimine is sourced from PubChem (CID 123537731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).