4-methyl-3-N-propan-2-ylidene-2-N-prop-1-en-2-ylpent-3-ene-2,3-diimine

C12H20N2 — CID 134339056

IUPAC4-methyl-3-N-propan-2-ylidene-2-N-prop-1-en-2-ylpent-3-ene-2,3-diimine
SMILESC=C(C)/N=C(\C)C(N=C(C)C)=C(C)C
InChIInChI=1S/C12H20N2/c1-8(2)12(14-10(5)6)11(7)13-9(3)4/h3H2,1-2,4-7H3/b13-11+
InChIKeyJXVSIUCLKXWOGR-ACCUITESSA-N
MW192.31 g/mol
LogP3.76
Rot. Bonds3

About 4-methyl-3-N-propan-2-ylidene-2-N-prop-1-en-2-ylpent-3-ene-2,3-diimine

4-methyl-3-N-propan-2-ylidene-2-N-prop-1-en-2-ylpent-3-ene-2,3-diimine (PubChem CID 134339056) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 4-methyl-3-N-propan-2-ylidene-2-N-prop-1-en-2-ylpent-3-ene-2,3-diimine.

Molecular Properties

Compound Name4-methyl-3-N-propan-2-ylidene-2-N-prop-1-en-2-ylpent-3-ene-2,3-diimine
PubChem CID134339056
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name4-methyl-3-N-propan-2-ylidene-2-N-prop-1-en-2-ylpent-3-ene-2,3-diimine
SMILESC=C(C)/N=C(\C)C(N=C(C)C)=C(C)C
InChIInChI=1S/C12H20N2/c1-8(2)12(14-10(5)6)11(7)13-9(3)4/h3H2,1-2,4-7H3/b13-11+
InChIKeyJXVSIUCLKXWOGR-ACCUITESSA-N
XLogP3.76
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 53.76
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 4-methyl-3-N-propan-2-ylidene-2-N-prop-1-en-2-ylpent-3-ene-2,3-diimine?
The IUPAC name of 4-methyl-3-N-propan-2-ylidene-2-N-prop-1-en-2-ylpent-3-ene-2,3-diimine (CID 134339056) is 4-methyl-3-N-propan-2-ylidene-2-N-prop-1-en-2-ylpent-3-ene-2,3-diimine.
What is the SMILES notation for 4-methyl-3-N-propan-2-ylidene-2-N-prop-1-en-2-ylpent-3-ene-2,3-diimine?
The canonical SMILES for 4-methyl-3-N-propan-2-ylidene-2-N-prop-1-en-2-ylpent-3-ene-2,3-diimine is C=C(C)/N=C(\C)C(N=C(C)C)=C(C)C.
What is the InChIKey of 4-methyl-3-N-propan-2-ylidene-2-N-prop-1-en-2-ylpent-3-ene-2,3-diimine?
The InChIKey is JXVSIUCLKXWOGR-ACCUITESSA-N. The full InChI is InChI=1S/C12H20N2/c1-8(2)12(14-10(5)6)11(7)13-9(3)4/h3H2,1-2,4-7H3/b13-11+.
What are the key properties of 4-methyl-3-N-propan-2-ylidene-2-N-prop-1-en-2-ylpent-3-ene-2,3-diimine?
4-methyl-3-N-propan-2-ylidene-2-N-prop-1-en-2-ylpent-3-ene-2,3-diimine has a molecular weight of 192.31 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-N-propan-2-ylidene-2-N-prop-1-en-2-ylpent-3-ene-2,3-diimine is sourced from PubChem (CID 134339056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).