4-methyl-3-N-(2-methylbutylidene)pent-3-ene-2,3-diimine

C11H20N2 — CID 126599283

IUPAC4-methyl-3-N-(2-methylbutylidene)pent-3-ene-2,3-diimine
SMILES[H]/N=C(\C)C(/N=C/C(C)CC)=C(C)C
InChIInChI=1S/C11H20N2/c1-6-9(4)7-13-11(8(2)3)10(5)12/h7,9,12H,6H2,1-5H3/b12-10+,13-7+
InChIKeyUGBSODFGITUUSU-PVYBRLDNSA-N
MW180.29 g/mol
LogP3.44
Rot. Bonds4

About 4-methyl-3-N-(2-methylbutylidene)pent-3-ene-2,3-diimine

4-methyl-3-N-(2-methylbutylidene)pent-3-ene-2,3-diimine (PubChem CID 126599283) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 4-methyl-3-N-(2-methylbutylidene)pent-3-ene-2,3-diimine.

Molecular Properties

Compound Name4-methyl-3-N-(2-methylbutylidene)pent-3-ene-2,3-diimine
PubChem CID126599283
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name4-methyl-3-N-(2-methylbutylidene)pent-3-ene-2,3-diimine
SMILES[H]/N=C(\C)C(/N=C/C(C)CC)=C(C)C
InChIInChI=1S/C11H20N2/c1-6-9(4)7-13-11(8(2)3)10(5)12/h7,9,12H,6H2,1-5H3/b12-10+,13-7+
InChIKeyUGBSODFGITUUSU-PVYBRLDNSA-N
XLogP3.44
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.44
H-Bond Donors ≤ 51
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 4-methyl-3-N-(2-methylbutylidene)pent-3-ene-2,3-diimine?
The IUPAC name of 4-methyl-3-N-(2-methylbutylidene)pent-3-ene-2,3-diimine (CID 126599283) is 4-methyl-3-N-(2-methylbutylidene)pent-3-ene-2,3-diimine.
What is the SMILES notation for 4-methyl-3-N-(2-methylbutylidene)pent-3-ene-2,3-diimine?
The canonical SMILES for 4-methyl-3-N-(2-methylbutylidene)pent-3-ene-2,3-diimine is [H]/N=C(\C)C(/N=C/C(C)CC)=C(C)C.
What is the InChIKey of 4-methyl-3-N-(2-methylbutylidene)pent-3-ene-2,3-diimine?
The InChIKey is UGBSODFGITUUSU-PVYBRLDNSA-N. The full InChI is InChI=1S/C11H20N2/c1-6-9(4)7-13-11(8(2)3)10(5)12/h7,9,12H,6H2,1-5H3/b12-10+,13-7+.
What are the key properties of 4-methyl-3-N-(2-methylbutylidene)pent-3-ene-2,3-diimine?
4-methyl-3-N-(2-methylbutylidene)pent-3-ene-2,3-diimine has a molecular weight of 180.29 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-N-(2-methylbutylidene)pent-3-ene-2,3-diimine is sourced from PubChem (CID 126599283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).