4-methyl-N-[(E)-3-methylpent-2-en-2-yl]pent-3-en-2-imine

C12H21N — CID 138569674

IUPAC4-methyl-N-[(E)-3-methylpent-2-en-2-yl]pent-3-en-2-imine
SMILESCC/C(C)=C(C)/N=C(\C)C=C(C)C
InChIInChI=1S/C12H21N/c1-7-10(4)12(6)13-11(5)8-9(2)3/h8H,7H2,1-6H3/b12-10+,13-11+
InChIKeyLMCJEGNFUIDFOR-DCIPZJNNSA-N
MW179.31 g/mol
LogP4.12
Rot. Bonds3

About 4-methyl-N-[(E)-3-methylpent-2-en-2-yl]pent-3-en-2-imine

4-methyl-N-[(E)-3-methylpent-2-en-2-yl]pent-3-en-2-imine (PubChem CID 138569674) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 4-methyl-N-[(E)-3-methylpent-2-en-2-yl]pent-3-en-2-imine.

Molecular Properties

Compound Name4-methyl-N-[(E)-3-methylpent-2-en-2-yl]pent-3-en-2-imine
PubChem CID138569674
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name4-methyl-N-[(E)-3-methylpent-2-en-2-yl]pent-3-en-2-imine
SMILESCC/C(C)=C(C)/N=C(\C)C=C(C)C
InChIInChI=1S/C12H21N/c1-7-10(4)12(6)13-11(5)8-9(2)3/h8H,7H2,1-6H3/b12-10+,13-11+
InChIKeyLMCJEGNFUIDFOR-DCIPZJNNSA-N
XLogP4.12
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-N-[(E)-3-methylpent-2-en-2-yl]pent-3-en-2-imine?
The IUPAC name of 4-methyl-N-[(E)-3-methylpent-2-en-2-yl]pent-3-en-2-imine (CID 138569674) is 4-methyl-N-[(E)-3-methylpent-2-en-2-yl]pent-3-en-2-imine.
What is the SMILES notation for 4-methyl-N-[(E)-3-methylpent-2-en-2-yl]pent-3-en-2-imine?
The canonical SMILES for 4-methyl-N-[(E)-3-methylpent-2-en-2-yl]pent-3-en-2-imine is CC/C(C)=C(C)/N=C(\C)C=C(C)C.
What is the InChIKey of 4-methyl-N-[(E)-3-methylpent-2-en-2-yl]pent-3-en-2-imine?
The InChIKey is LMCJEGNFUIDFOR-DCIPZJNNSA-N. The full InChI is InChI=1S/C12H21N/c1-7-10(4)12(6)13-11(5)8-9(2)3/h8H,7H2,1-6H3/b12-10+,13-11+.
What are the key properties of 4-methyl-N-[(E)-3-methylpent-2-en-2-yl]pent-3-en-2-imine?
4-methyl-N-[(E)-3-methylpent-2-en-2-yl]pent-3-en-2-imine has a molecular weight of 179.31 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(E)-3-methylpent-2-en-2-yl]pent-3-en-2-imine is sourced from PubChem (CID 138569674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).