N-(3-dimethylarsanylpropyl)-2-methylprop-2-enamide

C9H18AsNO — CID 87191392

IUPACN-(3-dimethylarsanylpropyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCC[As](C)C
InChIInChI=1S/C9H18AsNO/c1-8(2)9(12)11-7-5-6-10(3)4/h1,5-7H2,2-4H3,(H,11,12)
InChIKeyDGGHNMOCIFQRAM-UHFFFAOYSA-N
MW231.17 g/mol
LogP1.82
Rot. Bonds5

About N-(3-dimethylarsanylpropyl)-2-methylprop-2-enamide

N-(3-dimethylarsanylpropyl)-2-methylprop-2-enamide (PubChem CID 87191392) has the molecular formula C9H18AsNO and a molecular weight of 231.17 g/mol. Its IUPAC name is N-(3-dimethylarsanylpropyl)-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-(3-dimethylarsanylpropyl)-2-methylprop-2-enamide
PubChem CID87191392
Molecular FormulaC9H18AsNO
Molecular Weight231.17 g/mol
Exact Mass231.06
IUPAC NameN-(3-dimethylarsanylpropyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCC[As](C)C
InChIInChI=1S/C9H18AsNO/c1-8(2)9(12)11-7-5-6-10(3)4/h1,5-7H2,2-4H3,(H,11,12)
InChIKeyDGGHNMOCIFQRAM-UHFFFAOYSA-N
XLogP1.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.17
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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-(3-bromopropyl)-2-methylprop-2-enamide
CID 86134938
N-icosyl-2-methylprop-2-enamide
CID 22336363
N,N-dimethyl-3-(2-methylprop-2-enoylamino)propan-1-amine oxide
CID 87182014
N-(4,5-dimethylhex-4-enyl)-2-methylprop-2-enamide
CID 175606829
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-methylidene-5-(2-methylprop-2-enoylamino)pentanoic acid
CID 18407922
2-methyl-N-[3-(2-methylprop-2-enoylamino)propyl]butanamide
CID 59773657

Frequently Asked Questions

What is the IUPAC name of N-(3-dimethylarsanylpropyl)-2-methylprop-2-enamide?
The IUPAC name of N-(3-dimethylarsanylpropyl)-2-methylprop-2-enamide (CID 87191392) is N-(3-dimethylarsanylpropyl)-2-methylprop-2-enamide.
What is the SMILES notation for N-(3-dimethylarsanylpropyl)-2-methylprop-2-enamide?
The canonical SMILES for N-(3-dimethylarsanylpropyl)-2-methylprop-2-enamide is C=C(C)C(=O)NCCC[As](C)C.
What is the InChIKey of N-(3-dimethylarsanylpropyl)-2-methylprop-2-enamide?
The InChIKey is DGGHNMOCIFQRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18AsNO/c1-8(2)9(12)11-7-5-6-10(3)4/h1,5-7H2,2-4H3,(H,11,12).
What are the key properties of N-(3-dimethylarsanylpropyl)-2-methylprop-2-enamide?
N-(3-dimethylarsanylpropyl)-2-methylprop-2-enamide has a molecular weight of 231.17 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-dimethylarsanylpropyl)-2-methylprop-2-enamide is sourced from PubChem (CID 87191392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).