4-arsanylbutane-1,1,1-triamine

C4H14AsN3 — CID 173424412

IUPAC4-arsanylbutane-1,1,1-triamine
SMILESNC(N)(N)CCC[AsH2]
InChIInChI=1S/C4H14AsN3/c5-3-1-2-4(6,7)8/h1-3,5-8H2
InChIKeyXWEQTQXCCNCYKL-UHFFFAOYSA-N
MW179.10 g/mol
LogP-1.65
Rot. Bonds3

About 4-arsanylbutane-1,1,1-triamine

4-arsanylbutane-1,1,1-triamine (PubChem CID 173424412) has the molecular formula C4H14AsN3 and a molecular weight of 179.10 g/mol. Its IUPAC name is 4-arsanylbutane-1,1,1-triamine.

Molecular Properties

Compound Name4-arsanylbutane-1,1,1-triamine
PubChem CID173424412
Molecular FormulaC4H14AsN3
Molecular Weight179.10 g/mol
Exact Mass179.04
IUPAC Name4-arsanylbutane-1,1,1-triamine
SMILESNC(N)(N)CCC[AsH2]
InChIInChI=1S/C4H14AsN3/c5-3-1-2-4(6,7)8/h1-3,5-8H2
InChIKeyXWEQTQXCCNCYKL-UHFFFAOYSA-N
XLogP-1.65
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.10
LogP ≤ 5-1.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

nonane-1,1,1-triamine
CID 18954154
4,4,4-triaminobutanal
CID 88967225
6,6,6-triaminohexanoic acid
CID 131720979
sodium;[4-arsanyl-1-hydroxy-1-[hydroxy(oxo)phosphaniumyl]butyl]-oxido-oxophosphanium;trihydrate
CID 173239949
3-N-methylpropane-1,1,1,3-tetramine
CID 174312899
2,7-dimethyloctane-1,2,7,8-tetramine
CID 54453561
3-N-methyl-3-N-(3,3,3-triaminopropyl)propane-1,1,1,3-tetramine
CID 141114653
2-phosphanylethane-1,1,1-triamine
CID 57069573
2-amino-2-ethylhexanal
CID 89415395
1-aminopropane-1,1,3-triol
CID 54460463
hexane-1,1,1,4-tetramine
CID 91202489
(Z)-6,6-dimethylhept-1-en-1-amine
CID 89037206

Frequently Asked Questions

What is the IUPAC name of 4-arsanylbutane-1,1,1-triamine?
The IUPAC name of 4-arsanylbutane-1,1,1-triamine (CID 173424412) is 4-arsanylbutane-1,1,1-triamine.
What is the SMILES notation for 4-arsanylbutane-1,1,1-triamine?
The canonical SMILES for 4-arsanylbutane-1,1,1-triamine is NC(N)(N)CCC[AsH2].
What is the InChIKey of 4-arsanylbutane-1,1,1-triamine?
The InChIKey is XWEQTQXCCNCYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H14AsN3/c5-3-1-2-4(6,7)8/h1-3,5-8H2.
What are the key properties of 4-arsanylbutane-1,1,1-triamine?
4-arsanylbutane-1,1,1-triamine has a molecular weight of 179.10 g/mol, XLogP of -1.65, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-arsanylbutane-1,1,1-triamine is sourced from PubChem (CID 173424412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).