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

C11H18N2O — CID 145293396

IUPAC(2Z)-N-tert-butyl-3-methyl-2-(methylideneamino)penta-2,4-dienamide
SMILESC=C/C(C)=C(\N=C)C(=O)NC(C)(C)C
InChIInChI=1S/C11H18N2O/c1-7-8(2)9(12-6)10(14)13-11(3,4)5/h7H,1,6H2,2-5H3,(H,13,14)/b9-8-
InChIKeySYJJFZQLSYODJN-HJWRWDBZSA-N
MW194.28 g/mol
LogP2.06
Rot. Bonds3

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

(2Z)-N-tert-butyl-3-methyl-2-(methylideneamino)penta-2,4-dienamide (PubChem CID 145293396) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is (2Z)-N-tert-butyl-3-methyl-2-(methylideneamino)penta-2,4-dienamide.

Molecular Properties

Compound Name(2Z)-N-tert-butyl-3-methyl-2-(methylideneamino)penta-2,4-dienamide
PubChem CID145293396
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name(2Z)-N-tert-butyl-3-methyl-2-(methylideneamino)penta-2,4-dienamide
SMILESC=C/C(C)=C(\N=C)C(=O)NC(C)(C)C
InChIInChI=1S/C11H18N2O/c1-7-8(2)9(12-6)10(14)13-11(3,4)5/h7H,1,6H2,2-5H3,(H,13,14)/b9-8-
InChIKeySYJJFZQLSYODJN-HJWRWDBZSA-N
XLogP2.06
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.06
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

(2Z)-N,3-dimethyl-2-(methylideneamino)penta-2,4-dienamide;ethane
CID 144293754
(2Z)-N-tert-butyl-3-methyl-2-(methylideneamino)penta-2,4-dienamide;molecular hydrogen
CID 145293395
(2Z,4Z)-N-tert-butyl-3-methyl-2-(methylideneamino)hexa-2,4-dienamide
CID 145293590
Ethane;3-ethenyl-4-(methylideneamino)-1,2-dihydropyrrol-5-one
CID 145394076
(2Z,4Z)-N-tert-butyl-2-(methylideneamino)hexa-2,4-dienamide
CID 155176584
(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
(2Z)-N,3-dimethyl-2-(methylideneamino)penta-2,4-dienamide
CID 144293755

Frequently Asked Questions

What is the IUPAC name of (2Z)-N-tert-butyl-3-methyl-2-(methylideneamino)penta-2,4-dienamide?
The IUPAC name of (2Z)-N-tert-butyl-3-methyl-2-(methylideneamino)penta-2,4-dienamide (CID 145293396) is (2Z)-N-tert-butyl-3-methyl-2-(methylideneamino)penta-2,4-dienamide.
What is the SMILES notation for (2Z)-N-tert-butyl-3-methyl-2-(methylideneamino)penta-2,4-dienamide?
The canonical SMILES for (2Z)-N-tert-butyl-3-methyl-2-(methylideneamino)penta-2,4-dienamide is C=C/C(C)=C(\N=C)C(=O)NC(C)(C)C.
What is the InChIKey of (2Z)-N-tert-butyl-3-methyl-2-(methylideneamino)penta-2,4-dienamide?
The InChIKey is SYJJFZQLSYODJN-HJWRWDBZSA-N. The full InChI is InChI=1S/C11H18N2O/c1-7-8(2)9(12-6)10(14)13-11(3,4)5/h7H,1,6H2,2-5H3,(H,13,14)/b9-8-.
What are the key properties of (2Z)-N-tert-butyl-3-methyl-2-(methylideneamino)penta-2,4-dienamide?
(2Z)-N-tert-butyl-3-methyl-2-(methylideneamino)penta-2,4-dienamide has a molecular weight of 194.28 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-tert-butyl-3-methyl-2-(methylideneamino)penta-2,4-dienamide is sourced from PubChem (CID 145293396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).