2,2-dimethyl-N-[4-(methylideneamino)penta-1,3-dien-2-yl]propanamide

C11H18N2O — CID 123482195

IUPAC2,2-dimethyl-N-[4-(methylideneamino)penta-1,3-dien-2-yl]propanamide
SMILESC=NC(C)=CC(=C)NC(=O)C(C)(C)C
InChIInChI=1S/C11H18N2O/c1-8(12-6)7-9(2)13-10(14)11(3,4)5/h7H,2,6H2,1,3-5H3,(H,13,14)
InChIKeySCGAWWVUIXMPOW-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.27
Rot. Bonds3

About 2,2-dimethyl-N-[4-(methylideneamino)penta-1,3-dien-2-yl]propanamide

2,2-dimethyl-N-[4-(methylideneamino)penta-1,3-dien-2-yl]propanamide (PubChem CID 123482195) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2,2-dimethyl-N-[4-(methylideneamino)penta-1,3-dien-2-yl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[4-(methylideneamino)penta-1,3-dien-2-yl]propanamide
PubChem CID123482195
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2,2-dimethyl-N-[4-(methylideneamino)penta-1,3-dien-2-yl]propanamide
SMILESC=NC(C)=CC(=C)NC(=O)C(C)(C)C
InChIInChI=1S/C11H18N2O/c1-8(12-6)7-9(2)13-10(14)11(3,4)5/h7H,2,6H2,1,3-5H3,(H,13,14)
InChIKeySCGAWWVUIXMPOW-UHFFFAOYSA-N
XLogP2.27
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 ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1Z,3Z)-1-fluoro-1-(methylideneamino)penta-1,3-dien-2-yl]propanamide
CID 170583184
N-[(1Z,3E)-1-aminohexa-1,3,5-trien-3-yl]-2,2-dimethylpropanamide
CID 88243226
N-[(1E,3Z)-1-aminohexa-1,3,5-trien-2-yl]-2,2-dimethylpropanamide
CID 89278168
2,2-dimethyl-N-penta-2,4-dien-2-ylpropanamide
CID 123870902
N-[(2E,4E)-5-methoxy-5-(methylideneamino)penta-2,4-dien-2-yl]-2-methylpropanamide
CID 134509547
2,2-dimethyl-N-[(1Z,3E)-1-(methylideneamino)penta-1,3-dien-3-yl]propanamide
CID 137392199
2,2-dimethyl-N-[(2E)-penta-2,4-dien-2-yl]propanamide;ethane
CID 143140016
N-[(2E,4Z)-hexa-2,4-dien-3-yl]-2,2-dimethylpropanamide
CID 143202552
N-[(Z)-1-iminobut-2-en-2-yl]-2,2-dimethylpropanamide
CID 143282267
N-[(3E,5Z)-5-(methylideneamino)hepta-1,3,5-trien-2-yl]acetamide;molecular hydrogen
CID 145600679
N-[(1E,3Z)-1-(methylideneamino)penta-1,3-dien-2-yl]butanamide
CID 147432203
ethane;N-[(3E)-hexa-3,5-dien-3-yl]-2,2-dimethylpropanamide;methanimine
CID 155734679

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[4-(methylideneamino)penta-1,3-dien-2-yl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[4-(methylideneamino)penta-1,3-dien-2-yl]propanamide (CID 123482195) is 2,2-dimethyl-N-[4-(methylideneamino)penta-1,3-dien-2-yl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[4-(methylideneamino)penta-1,3-dien-2-yl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[4-(methylideneamino)penta-1,3-dien-2-yl]propanamide is C=NC(C)=CC(=C)NC(=O)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N-[4-(methylideneamino)penta-1,3-dien-2-yl]propanamide?
The InChIKey is SCGAWWVUIXMPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-8(12-6)7-9(2)13-10(14)11(3,4)5/h7H,2,6H2,1,3-5H3,(H,13,14).
What are the key properties of 2,2-dimethyl-N-[4-(methylideneamino)penta-1,3-dien-2-yl]propanamide?
2,2-dimethyl-N-[4-(methylideneamino)penta-1,3-dien-2-yl]propanamide has a molecular weight of 194.28 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[4-(methylideneamino)penta-1,3-dien-2-yl]propanamide is sourced from PubChem (CID 123482195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).