1-N,3,3-trimethyl-2-N-(3-methylbut-1-en-2-yl)butane-1,2-diimine

C12H22N2 — CID 139359806

IUPAC1-N,3,3-trimethyl-2-N-(3-methylbut-1-en-2-yl)butane-1,2-diimine
SMILESC=C(/N=C(\C=N\C)C(C)(C)C)C(C)C
InChIInChI=1S/C12H22N2/c1-9(2)10(3)14-11(8-13-7)12(4,5)6/h8-9H,3H2,1-2,4-7H3/b13-8+,14-11+
InChIKeyXJPVYFVSRJSTQP-HVUCGZAQSA-N
MW194.32 g/mol
LogP3.34
Rot. Bonds3

About 1-N,3,3-trimethyl-2-N-(3-methylbut-1-en-2-yl)butane-1,2-diimine

1-N,3,3-trimethyl-2-N-(3-methylbut-1-en-2-yl)butane-1,2-diimine (PubChem CID 139359806) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 1-N,3,3-trimethyl-2-N-(3-methylbut-1-en-2-yl)butane-1,2-diimine.

Molecular Properties

Compound Name1-N,3,3-trimethyl-2-N-(3-methylbut-1-en-2-yl)butane-1,2-diimine
PubChem CID139359806
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name1-N,3,3-trimethyl-2-N-(3-methylbut-1-en-2-yl)butane-1,2-diimine
SMILESC=C(/N=C(\C=N\C)C(C)(C)C)C(C)C
InChIInChI=1S/C12H22N2/c1-9(2)10(3)14-11(8-13-7)12(4,5)6/h8-9H,3H2,1-2,4-7H3/b13-8+,14-11+
InChIKeyXJPVYFVSRJSTQP-HVUCGZAQSA-N
XLogP3.34
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N,3,3-trimethyl-2-N-(3-methylbut-1-en-2-yl)butane-1,2-diimine?
The IUPAC name of 1-N,3,3-trimethyl-2-N-(3-methylbut-1-en-2-yl)butane-1,2-diimine (CID 139359806) is 1-N,3,3-trimethyl-2-N-(3-methylbut-1-en-2-yl)butane-1,2-diimine.
What is the SMILES notation for 1-N,3,3-trimethyl-2-N-(3-methylbut-1-en-2-yl)butane-1,2-diimine?
The canonical SMILES for 1-N,3,3-trimethyl-2-N-(3-methylbut-1-en-2-yl)butane-1,2-diimine is C=C(/N=C(\C=N\C)C(C)(C)C)C(C)C.
What is the InChIKey of 1-N,3,3-trimethyl-2-N-(3-methylbut-1-en-2-yl)butane-1,2-diimine?
The InChIKey is XJPVYFVSRJSTQP-HVUCGZAQSA-N. The full InChI is InChI=1S/C12H22N2/c1-9(2)10(3)14-11(8-13-7)12(4,5)6/h8-9H,3H2,1-2,4-7H3/b13-8+,14-11+.
What are the key properties of 1-N,3,3-trimethyl-2-N-(3-methylbut-1-en-2-yl)butane-1,2-diimine?
1-N,3,3-trimethyl-2-N-(3-methylbut-1-en-2-yl)butane-1,2-diimine has a molecular weight of 194.32 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3,3-trimethyl-2-N-(3-methylbut-1-en-2-yl)butane-1,2-diimine is sourced from PubChem (CID 139359806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).