2,4-dimethyl-1-N-(3-methylbut-3-enyl)hexane-1,3-diimine

C13H24N2 — CID 123687525

IUPAC2,4-dimethyl-1-N-(3-methylbut-3-enyl)hexane-1,3-diimine
SMILES[H]/N=C(/C(C)/C=N/CCC(=C)C)C(C)CC
InChIInChI=1S/C13H24N2/c1-6-11(4)13(14)12(5)9-15-8-7-10(2)3/h9,11-12,14H,2,6-8H2,1,3-5H3/b14-13+,15-9+
InChIKeyJUVCSYHCXLRVAA-FYXBLBNSSA-N
MW208.35 g/mol
LogP3.73
Rot. Bonds7

About 2,4-dimethyl-1-N-(3-methylbut-3-enyl)hexane-1,3-diimine

2,4-dimethyl-1-N-(3-methylbut-3-enyl)hexane-1,3-diimine (PubChem CID 123687525) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 2,4-dimethyl-1-N-(3-methylbut-3-enyl)hexane-1,3-diimine.

Molecular Properties

Compound Name2,4-dimethyl-1-N-(3-methylbut-3-enyl)hexane-1,3-diimine
PubChem CID123687525
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name2,4-dimethyl-1-N-(3-methylbut-3-enyl)hexane-1,3-diimine
SMILES[H]/N=C(/C(C)/C=N/CCC(=C)C)C(C)CC
InChIInChI=1S/C13H24N2/c1-6-11(4)13(14)12(5)9-15-8-7-10(2)3/h9,11-12,14H,2,6-8H2,1,3-5H3/b14-13+,15-9+
InChIKeyJUVCSYHCXLRVAA-FYXBLBNSSA-N
XLogP3.73
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-N-but-3-enyl-3-methylhexane-2,4-diimine
CID 123819837
4-Prop-1-en-2-ylheptane-1,6-diimine
CID 140575833
3-Prop-1-en-2-ylheptane-1,6-diimine
CID 140575865
(4Z)-2,5-dimethyl-4-[(methylideneamino)methylidene]hexan-3-imine
CID 161824951

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-N-(3-methylbut-3-enyl)hexane-1,3-diimine?
The IUPAC name of 2,4-dimethyl-1-N-(3-methylbut-3-enyl)hexane-1,3-diimine (CID 123687525) is 2,4-dimethyl-1-N-(3-methylbut-3-enyl)hexane-1,3-diimine.
What is the SMILES notation for 2,4-dimethyl-1-N-(3-methylbut-3-enyl)hexane-1,3-diimine?
The canonical SMILES for 2,4-dimethyl-1-N-(3-methylbut-3-enyl)hexane-1,3-diimine is [H]/N=C(/C(C)/C=N/CCC(=C)C)C(C)CC.
What is the InChIKey of 2,4-dimethyl-1-N-(3-methylbut-3-enyl)hexane-1,3-diimine?
The InChIKey is JUVCSYHCXLRVAA-FYXBLBNSSA-N. The full InChI is InChI=1S/C13H24N2/c1-6-11(4)13(14)12(5)9-15-8-7-10(2)3/h9,11-12,14H,2,6-8H2,1,3-5H3/b14-13+,15-9+.
What are the key properties of 2,4-dimethyl-1-N-(3-methylbut-3-enyl)hexane-1,3-diimine?
2,4-dimethyl-1-N-(3-methylbut-3-enyl)hexane-1,3-diimine has a molecular weight of 208.35 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-N-(3-methylbut-3-enyl)hexane-1,3-diimine is sourced from PubChem (CID 123687525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).