N-(4,5-dimethylhex-4-enyl)-2-methylprop-2-enamide

C12H21NO — CID 175606829

IUPACN-(4,5-dimethylhex-4-enyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCCC(C)=C(C)C
InChIInChI=1S/C12H21NO/c1-9(2)11(5)7-6-8-13-12(14)10(3)4/h3,6-8H2,1-2,4-5H3,(H,13,14)
InChIKeyGPOWFNNOLHYEJG-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.82
Rot. Bonds5

About N-(4,5-dimethylhex-4-enyl)-2-methylprop-2-enamide

N-(4,5-dimethylhex-4-enyl)-2-methylprop-2-enamide (PubChem CID 175606829) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is N-(4,5-dimethylhex-4-enyl)-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-(4,5-dimethylhex-4-enyl)-2-methylprop-2-enamide
PubChem CID175606829
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC NameN-(4,5-dimethylhex-4-enyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCCC(C)=C(C)C
InChIInChI=1S/C12H21NO/c1-9(2)11(5)7-6-8-13-12(14)10(3)4/h3,6-8H2,1-2,4-5H3,(H,13,14)
InChIKeyGPOWFNNOLHYEJG-UHFFFAOYSA-N
XLogP2.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-methylidene-5-(2-methylprop-2-enoylamino)pentanoic acid
CID 18407922
N-(3-bromopropyl)-2-methylprop-2-enamide
CID 86134938
N-(3-dimethylarsanylpropyl)-2-methylprop-2-enamide
CID 87191392
2-methyl-N-[3-[3-[3-(3-methylbuta-1,3-dien-2-ylamino)propylamino]buta-1,3-dien-2-ylamino]propyl]prop-2-enamide
CID 166886440
N-(3-aminopropyl)-2-methylprop-2-enamide
CID 158225145
N-icosyl-2-methylprop-2-enamide
CID 22336363
N-(8-aminooctyl)-2-methylprop-2-enamide
CID 86094836
N-(3-aminopropyl)-2-methylprop-2-enamide;molecular hydrogen
CID 143745168
2-methyl-N-[3-(methylideneamino)propyl]prop-2-enamide
CID 118147374
trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium chloride
CID 177404233
2-methyl-N-[3-(2-methylprop-2-enoylamino)propyl]butanamide
CID 59773657
N-butyl-2-methylprop-2-enamide;2-methylbut-2-ene
CID 174789419

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethylhex-4-enyl)-2-methylprop-2-enamide?
The IUPAC name of N-(4,5-dimethylhex-4-enyl)-2-methylprop-2-enamide (CID 175606829) is N-(4,5-dimethylhex-4-enyl)-2-methylprop-2-enamide.
What is the SMILES notation for N-(4,5-dimethylhex-4-enyl)-2-methylprop-2-enamide?
The canonical SMILES for N-(4,5-dimethylhex-4-enyl)-2-methylprop-2-enamide is C=C(C)C(=O)NCCCC(C)=C(C)C.
What is the InChIKey of N-(4,5-dimethylhex-4-enyl)-2-methylprop-2-enamide?
The InChIKey is GPOWFNNOLHYEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-9(2)11(5)7-6-8-13-12(14)10(3)4/h3,6-8H2,1-2,4-5H3,(H,13,14).
What are the key properties of N-(4,5-dimethylhex-4-enyl)-2-methylprop-2-enamide?
N-(4,5-dimethylhex-4-enyl)-2-methylprop-2-enamide has a molecular weight of 195.31 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethylhex-4-enyl)-2-methylprop-2-enamide is sourced from PubChem (CID 175606829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).