4-dimethylarsanyl-N-methylbutan-1-amine

C7H18AsN — CID 175378808

IUPAC4-dimethylarsanyl-N-methylbutan-1-amine
SMILESCNCCCC[As](C)C
InChIInChI=1S/C7H18AsN/c1-8(2)6-4-5-7-9-3/h9H,4-7H2,1-3H3
InChIKeyKYJDDDDRRZEXDI-UHFFFAOYSA-N
MW191.15 g/mol
LogP1.74
Rot. Bonds5

About 4-dimethylarsanyl-N-methylbutan-1-amine

4-dimethylarsanyl-N-methylbutan-1-amine (PubChem CID 175378808) has the molecular formula C7H18AsN and a molecular weight of 191.15 g/mol. Its IUPAC name is 4-dimethylarsanyl-N-methylbutan-1-amine.

Molecular Properties

Compound Name4-dimethylarsanyl-N-methylbutan-1-amine
PubChem CID175378808
Molecular FormulaC7H18AsN
Molecular Weight191.15 g/mol
Exact Mass191.07
IUPAC Name4-dimethylarsanyl-N-methylbutan-1-amine
SMILESCNCCCC[As](C)C
InChIInChI=1S/C7H18AsN/c1-8(2)6-4-5-7-9-3/h9H,4-7H2,1-3H3
InChIKeyKYJDDDDRRZEXDI-UHFFFAOYSA-N
XLogP1.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.15
LogP ≤ 51.74
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'}

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Related Compounds

N,N'-dimethylhexane-1,6-diamine;hydrochloride
CID 154634683
5-(methylamino)pentanoic acid
CID 91583432
6-(methylamino)hexanoic acid
CID 4989372
13-(methylamino)tridecan-2-one
CID 23382037
ethane;5-(methylamino)pentanoic acid
CID 178043439
N-methylpentan-1-amine;phosphoric acid
CID 175529105
N,N'-dimethylheptane-1,7-diamine;ethane;molecular hydrogen
CID 176578398
tris(N-methyldodecan-1-amine);phosphoric acid
CID 175134049
2-methyl-N-[4-(methylamino)butyl]propanamide
CID 134337431
N-methyl-11-(methylamino)undecanamide
CID 59809097
dihydroxy(oxo)phosphanium;N-methyloctadecan-1-amine
CID 19904990
ethane;7-(methylamino)heptan-2-one
CID 176694896

Frequently Asked Questions

What is the IUPAC name of 4-dimethylarsanyl-N-methylbutan-1-amine?
The IUPAC name of 4-dimethylarsanyl-N-methylbutan-1-amine (CID 175378808) is 4-dimethylarsanyl-N-methylbutan-1-amine.
What is the SMILES notation for 4-dimethylarsanyl-N-methylbutan-1-amine?
The canonical SMILES for 4-dimethylarsanyl-N-methylbutan-1-amine is CNCCCC[As](C)C.
What is the InChIKey of 4-dimethylarsanyl-N-methylbutan-1-amine?
The InChIKey is KYJDDDDRRZEXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18AsN/c1-8(2)6-4-5-7-9-3/h9H,4-7H2,1-3H3.
What are the key properties of 4-dimethylarsanyl-N-methylbutan-1-amine?
4-dimethylarsanyl-N-methylbutan-1-amine has a molecular weight of 191.15 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dimethylarsanyl-N-methylbutan-1-amine is sourced from PubChem (CID 175378808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).