(2Z,4E)-4-tert-butyl-N-methylhexa-2,4-dien-1-imine

C11H19N — CID 167182965

IUPAC(2Z,4E)-4-tert-butyl-N-methylhexa-2,4-dien-1-imine
SMILESC/C=C(\C=C/C=N/C)C(C)(C)C
InChIInChI=1S/C11H19N/c1-6-10(11(2,3)4)8-7-9-12-5/h6-9H,1-5H3/b8-7-,10-6+,12-9+
InChIKeyFPALQUUWEAXCIH-RTVDMKLESA-N
MW165.28 g/mol
LogP3.24
Rot. Bonds2

About (2Z,4E)-4-tert-butyl-N-methylhexa-2,4-dien-1-imine

(2Z,4E)-4-tert-butyl-N-methylhexa-2,4-dien-1-imine (PubChem CID 167182965) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is (2Z,4E)-4-tert-butyl-N-methylhexa-2,4-dien-1-imine.

Molecular Properties

Compound Name(2Z,4E)-4-tert-butyl-N-methylhexa-2,4-dien-1-imine
PubChem CID167182965
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name(2Z,4E)-4-tert-butyl-N-methylhexa-2,4-dien-1-imine
SMILESC/C=C(\C=C/C=N/C)C(C)(C)C
InChIInChI=1S/C11H19N/c1-6-10(11(2,3)4)8-7-9-12-5/h6-9H,1-5H3/b8-7-,10-6+,12-9+
InChIKeyFPALQUUWEAXCIH-RTVDMKLESA-N
XLogP3.24
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 ≤ 53.24
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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Related Compounds

(1Z,3Z,5E)-5-tert-butylhepta-1,3,5-trien-1-amine
CID 138751856
(2Z,4Z,6E)-6-tert-butylocta-2,4,6-trien-2-amine
CID 126590897
ethane;(Z)-N,4,4-trimethylpent-2-en-1-imine
CID 145365374
[(3E)-3-tert-butylpenta-1,3-dienyl]benzene
CID 144969758
(2Z,4Z)-N-methylhexa-2,4-dien-1-imine
CID 88859437
4,4-dimethyl-1-methyliminopent-2-en-3-amine
CID 163879852
(3Z,5E,7E,8Z)-5,7-di(ethylidene)-6-[(2E,4Z)-hexa-2,4-dien-3-yl]-6-methyldeca-1,3,8-triene;ethane
CID 143385248
[(2Z,4E)-4-tert-butylhexa-2,4-dienyl]urea
CID 171540295
(E)-N'-[(1Z,3E)-3-tert-butylpenta-1,3-dienyl]-3-(2,2-dimethylpropylsulfanyl)prop-2-enimidamide
CID 126513947
(Z,4E)-5,5-dimethyl-4-(methylsulfanylmethylidene)hex-2-ene
CID 166999034
N'-ethylidene-N-methylprop-2-ene-1,3-diimine
CID 91250307
3-tert-butyl-6-methyldeca-2,4,6,7-tetraene
CID 123641549

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-4-tert-butyl-N-methylhexa-2,4-dien-1-imine?
The IUPAC name of (2Z,4E)-4-tert-butyl-N-methylhexa-2,4-dien-1-imine (CID 167182965) is (2Z,4E)-4-tert-butyl-N-methylhexa-2,4-dien-1-imine.
What is the SMILES notation for (2Z,4E)-4-tert-butyl-N-methylhexa-2,4-dien-1-imine?
The canonical SMILES for (2Z,4E)-4-tert-butyl-N-methylhexa-2,4-dien-1-imine is C/C=C(\C=C/C=N/C)C(C)(C)C.
What is the InChIKey of (2Z,4E)-4-tert-butyl-N-methylhexa-2,4-dien-1-imine?
The InChIKey is FPALQUUWEAXCIH-RTVDMKLESA-N. The full InChI is InChI=1S/C11H19N/c1-6-10(11(2,3)4)8-7-9-12-5/h6-9H,1-5H3/b8-7-,10-6+,12-9+.
What are the key properties of (2Z,4E)-4-tert-butyl-N-methylhexa-2,4-dien-1-imine?
(2Z,4E)-4-tert-butyl-N-methylhexa-2,4-dien-1-imine has a molecular weight of 165.28 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-4-tert-butyl-N-methylhexa-2,4-dien-1-imine is sourced from PubChem (CID 167182965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).