(2Z,4E)-N-methyl-2-pentan-2-ylhexa-2,4-dien-1-imine

C12H21N — CID 155032085

IUPAC(2Z,4E)-N-methyl-2-pentan-2-ylhexa-2,4-dien-1-imine
SMILESC/C=C/C=C(\C=N\C)C(C)CCC
InChIInChI=1S/C12H21N/c1-5-7-9-12(10-13-4)11(3)8-6-2/h5,7,9-11H,6,8H2,1-4H3/b7-5+,12-9+,13-10+
InChIKeyQQHFCUIUQYTKSF-AZKITLQQSA-N
MW179.31 g/mol
LogP3.63
Rot. Bonds5

About (2Z,4E)-N-methyl-2-pentan-2-ylhexa-2,4-dien-1-imine

(2Z,4E)-N-methyl-2-pentan-2-ylhexa-2,4-dien-1-imine (PubChem CID 155032085) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is (2Z,4E)-N-methyl-2-pentan-2-ylhexa-2,4-dien-1-imine.

Molecular Properties

Compound Name(2Z,4E)-N-methyl-2-pentan-2-ylhexa-2,4-dien-1-imine
PubChem CID155032085
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name(2Z,4E)-N-methyl-2-pentan-2-ylhexa-2,4-dien-1-imine
SMILESC/C=C/C=C(\C=N\C)C(C)CCC
InChIInChI=1S/C12H21N/c1-5-7-9-12(10-13-4)11(3)8-6-2/h5,7,9-11H,6,8H2,1-4H3/b7-5+,12-9+,13-10+
InChIKeyQQHFCUIUQYTKSF-AZKITLQQSA-N
XLogP3.63
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-N-methyl-2-pentan-2-ylhexa-2,4-dien-1-imine?
The IUPAC name of (2Z,4E)-N-methyl-2-pentan-2-ylhexa-2,4-dien-1-imine (CID 155032085) is (2Z,4E)-N-methyl-2-pentan-2-ylhexa-2,4-dien-1-imine.
What is the SMILES notation for (2Z,4E)-N-methyl-2-pentan-2-ylhexa-2,4-dien-1-imine?
The canonical SMILES for (2Z,4E)-N-methyl-2-pentan-2-ylhexa-2,4-dien-1-imine is C/C=C/C=C(\C=N\C)C(C)CCC.
What is the InChIKey of (2Z,4E)-N-methyl-2-pentan-2-ylhexa-2,4-dien-1-imine?
The InChIKey is QQHFCUIUQYTKSF-AZKITLQQSA-N. The full InChI is InChI=1S/C12H21N/c1-5-7-9-12(10-13-4)11(3)8-6-2/h5,7,9-11H,6,8H2,1-4H3/b7-5+,12-9+,13-10+.
What are the key properties of (2Z,4E)-N-methyl-2-pentan-2-ylhexa-2,4-dien-1-imine?
(2Z,4E)-N-methyl-2-pentan-2-ylhexa-2,4-dien-1-imine has a molecular weight of 179.31 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-N-methyl-2-pentan-2-ylhexa-2,4-dien-1-imine is sourced from PubChem (CID 155032085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).