N-[(2Z,4E)-4-tert-butylhexa-2,4-dien-2-yl]methanimine

C11H19N — CID 171810981

IUPACN-[(2Z,4E)-4-tert-butylhexa-2,4-dien-2-yl]methanimine
SMILESC=N/C(C)=C\C(=C/C)C(C)(C)C
InChIInChI=1S/C11H19N/c1-7-10(11(3,4)5)8-9(2)12-6/h7-8H,6H2,1-5H3/b9-8-,10-7+
InChIKeyYJVSTYUWOWJLQI-ABGYPUNPSA-N
MW165.28 g/mol
LogP3.58
Rot. Bonds2

About N-[(2Z,4E)-4-tert-butylhexa-2,4-dien-2-yl]methanimine

N-[(2Z,4E)-4-tert-butylhexa-2,4-dien-2-yl]methanimine (PubChem CID 171810981) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is N-[(2Z,4E)-4-tert-butylhexa-2,4-dien-2-yl]methanimine.

Molecular Properties

Compound NameN-[(2Z,4E)-4-tert-butylhexa-2,4-dien-2-yl]methanimine
PubChem CID171810981
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC NameN-[(2Z,4E)-4-tert-butylhexa-2,4-dien-2-yl]methanimine
SMILESC=N/C(C)=C\C(=C/C)C(C)(C)C
InChIInChI=1S/C11H19N/c1-7-10(11(3,4)5)8-9(2)12-6/h7-8H,6H2,1-5H3/b9-8-,10-7+
InChIKeyYJVSTYUWOWJLQI-ABGYPUNPSA-N
XLogP3.58
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.58
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 N-[(2Z,4E)-4-tert-butylhexa-2,4-dien-2-yl]methanimine?
The IUPAC name of N-[(2Z,4E)-4-tert-butylhexa-2,4-dien-2-yl]methanimine (CID 171810981) is N-[(2Z,4E)-4-tert-butylhexa-2,4-dien-2-yl]methanimine.
What is the SMILES notation for N-[(2Z,4E)-4-tert-butylhexa-2,4-dien-2-yl]methanimine?
The canonical SMILES for N-[(2Z,4E)-4-tert-butylhexa-2,4-dien-2-yl]methanimine is C=N/C(C)=C\C(=C/C)C(C)(C)C.
What is the InChIKey of N-[(2Z,4E)-4-tert-butylhexa-2,4-dien-2-yl]methanimine?
The InChIKey is YJVSTYUWOWJLQI-ABGYPUNPSA-N. The full InChI is InChI=1S/C11H19N/c1-7-10(11(3,4)5)8-9(2)12-6/h7-8H,6H2,1-5H3/b9-8-,10-7+.
What are the key properties of N-[(2Z,4E)-4-tert-butylhexa-2,4-dien-2-yl]methanimine?
N-[(2Z,4E)-4-tert-butylhexa-2,4-dien-2-yl]methanimine has a molecular weight of 165.28 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z,4E)-4-tert-butylhexa-2,4-dien-2-yl]methanimine is sourced from PubChem (CID 171810981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).