(2Z,4Z)-N-tert-butyl-3-methyl-2-(methylideneamino)hexa-2,4-dienamide

C12H20N2O — CID 145293590

IUPAC(2Z,4Z)-N-tert-butyl-3-methyl-2-(methylideneamino)hexa-2,4-dienamide
SMILESC=N/C(C(=O)NC(C)(C)C)=C(C)\C=C/C
InChIInChI=1S/C12H20N2O/c1-7-8-9(2)10(13-6)11(15)14-12(3,4)5/h7-8H,6H2,1-5H3,(H,14,15)/b8-7-,10-9-
InChIKeySJSKUFJENPXHOO-QRLRYFCNSA-N
MW208.30 g/mol
LogP2.45
Rot. Bonds3

About (2Z,4Z)-N-tert-butyl-3-methyl-2-(methylideneamino)hexa-2,4-dienamide

(2Z,4Z)-N-tert-butyl-3-methyl-2-(methylideneamino)hexa-2,4-dienamide (PubChem CID 145293590) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is (2Z,4Z)-N-tert-butyl-3-methyl-2-(methylideneamino)hexa-2,4-dienamide.

Molecular Properties

Compound Name(2Z,4Z)-N-tert-butyl-3-methyl-2-(methylideneamino)hexa-2,4-dienamide
PubChem CID145293590
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name(2Z,4Z)-N-tert-butyl-3-methyl-2-(methylideneamino)hexa-2,4-dienamide
SMILESC=N/C(C(=O)NC(C)(C)C)=C(C)\C=C/C
InChIInChI=1S/C12H20N2O/c1-7-8-9(2)10(13-6)11(15)14-12(3,4)5/h7-8H,6H2,1-5H3,(H,14,15)/b8-7-,10-9-
InChIKeySJSKUFJENPXHOO-QRLRYFCNSA-N
XLogP2.45
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(E)-3-methyl-N-[(2Z)-2-(methylideneamino)penta-2,4-dienyl]hex-2-enamide
CID 121464236
(2Z)-2-amino-4-ethenyl-5-methyl-N-prop-1-en-2-ylhexa-2,4-dienamide
CID 132065565
(2Z)-N-tert-butyl-3-methyl-2-(methylideneamino)penta-2,4-dienamide;molecular hydrogen
CID 145293395
(2Z)-N-tert-butyl-3-methyl-2-(methylideneamino)penta-2,4-dienamide
CID 145293396
(2Z,4Z)-N-tert-butyl-2-(methylideneamino)hexa-2,4-dienamide
CID 155176584
(2Z,4E)-3,5,6-trimethyl-2-(methylideneamino)hepta-2,4-dienamide
CID 169871909
(2Z)-N-ethyl-3-methyl-2-(methylideneamino)penta-2,4-dienamide
CID 171099293
N-tert-butyl-3-methyl-1-azacyclohepta-2,4,6,7-tetraene-2-carboxamide
CID 176539495
3-(ethylamino)-6-methyl-5-[(1Z,3E)-1-(methylideneamino)penta-1,3-dien-3-yl]-1H-pyridin-2-one
CID 91327062
(Z)-3-methyl-2-(methylamino)-N-[(3E)-penta-1,3-dien-3-yl]pent-2-enamide
CID 144654601

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-N-tert-butyl-3-methyl-2-(methylideneamino)hexa-2,4-dienamide?
The IUPAC name of (2Z,4Z)-N-tert-butyl-3-methyl-2-(methylideneamino)hexa-2,4-dienamide (CID 145293590) is (2Z,4Z)-N-tert-butyl-3-methyl-2-(methylideneamino)hexa-2,4-dienamide.
What is the SMILES notation for (2Z,4Z)-N-tert-butyl-3-methyl-2-(methylideneamino)hexa-2,4-dienamide?
The canonical SMILES for (2Z,4Z)-N-tert-butyl-3-methyl-2-(methylideneamino)hexa-2,4-dienamide is C=N/C(C(=O)NC(C)(C)C)=C(C)\C=C/C.
What is the InChIKey of (2Z,4Z)-N-tert-butyl-3-methyl-2-(methylideneamino)hexa-2,4-dienamide?
The InChIKey is SJSKUFJENPXHOO-QRLRYFCNSA-N. The full InChI is InChI=1S/C12H20N2O/c1-7-8-9(2)10(13-6)11(15)14-12(3,4)5/h7-8H,6H2,1-5H3,(H,14,15)/b8-7-,10-9-.
What are the key properties of (2Z,4Z)-N-tert-butyl-3-methyl-2-(methylideneamino)hexa-2,4-dienamide?
(2Z,4Z)-N-tert-butyl-3-methyl-2-(methylideneamino)hexa-2,4-dienamide has a molecular weight of 208.30 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-N-tert-butyl-3-methyl-2-(methylideneamino)hexa-2,4-dienamide is sourced from PubChem (CID 145293590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).