3-methylhept-3-ene-2,6-diimine

C8H14N2 — CID 123609238

IUPAC3-methylhept-3-ene-2,6-diimine
SMILES[H]/N=C(\C)CC=C(C)/C(C)=N/[H]
InChIInChI=1S/C8H14N2/c1-6(8(3)10)4-5-7(2)9/h4,9-10H,5H2,1-3H3/b6-4?,9-7+,10-8+
InChIKeyMKKNTGHLEFUOTJ-LGXIXBKDSA-N
MW138.21 g/mol
LogP2.40
Rot. Bonds3

About 3-methylhept-3-ene-2,6-diimine

3-methylhept-3-ene-2,6-diimine (PubChem CID 123609238) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 3-methylhept-3-ene-2,6-diimine.

Molecular Properties

Compound Name3-methylhept-3-ene-2,6-diimine
PubChem CID123609238
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name3-methylhept-3-ene-2,6-diimine
SMILES[H]/N=C(\C)CC=C(C)/C(C)=N/[H]
InChIInChI=1S/C8H14N2/c1-6(8(3)10)4-5-7(2)9/h4,9-10H,5H2,1-3H3/b6-4?,9-7+,10-8+
InChIKeyMKKNTGHLEFUOTJ-LGXIXBKDSA-N
XLogP2.40
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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

5-chloro-3-methylpent-3-en-2-imine
CID 174617581
(E)-hex-4-en-2-imine
CID 15835471
3-iminobutanimidoyl bromide
CID 118688687
3-[(E)-5-iminohex-2-en-2-yl]-1,3-oxazolidin-2-one
CID 91122217
5-methylhept-5-en-2-imine
CID 123766869
methylcyclopentane;(E)-3-methylpent-3-en-2-imine
CID 144805325
(Z)-4-methyl-2-propan-2-ylidenehex-3-ene-1,5-diimine
CID 146288740
(4E)-4,7-dimethyldeca-4,7,9-trien-2-imine
CID 123322065
3-iminobutan-1-ol
CID 54468047
1-(1,1-difluoroethyl)-4-methylbenzene;ethane;(Z)-3-methylhex-3-en-2-imine
CID 176922631
ethane;methoxymethane;(Z)-3-methyl-5-(3-phenylphenyl)pent-3-en-2-imine
CID 145051761
(E)-2-imino-3-methylpent-3-en-1-amine
CID 170222558

Frequently Asked Questions

What is the IUPAC name of 3-methylhept-3-ene-2,6-diimine?
The IUPAC name of 3-methylhept-3-ene-2,6-diimine (CID 123609238) is 3-methylhept-3-ene-2,6-diimine.
What is the SMILES notation for 3-methylhept-3-ene-2,6-diimine?
The canonical SMILES for 3-methylhept-3-ene-2,6-diimine is [H]/N=C(\C)CC=C(C)/C(C)=N/[H].
What is the InChIKey of 3-methylhept-3-ene-2,6-diimine?
The InChIKey is MKKNTGHLEFUOTJ-LGXIXBKDSA-N. The full InChI is InChI=1S/C8H14N2/c1-6(8(3)10)4-5-7(2)9/h4,9-10H,5H2,1-3H3/b6-4?,9-7+,10-8+.
What are the key properties of 3-methylhept-3-ene-2,6-diimine?
3-methylhept-3-ene-2,6-diimine has a molecular weight of 138.21 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylhept-3-ene-2,6-diimine is sourced from PubChem (CID 123609238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).