1-[4-(1-arsanylethyl)piperazin-1-yl]butan-2-amine

C10H24AsN3 — CID 173029681

IUPAC1-[4-(1-arsanylethyl)piperazin-1-yl]butan-2-amine
SMILESCCC(N)CN1CCN(C(C)[AsH2])CC1
InChIInChI=1S/C10H24AsN3/c1-3-10(12)8-13-4-6-14(7-5-13)9(2)11/h9-10H,3-8,11-12H2,1-2H3
InChIKeySXBINMWOTMSNJW-UHFFFAOYSA-N
MW261.24 g/mol
LogP-0.68
Rot. Bonds4

About 1-[4-(1-arsanylethyl)piperazin-1-yl]butan-2-amine

1-[4-(1-arsanylethyl)piperazin-1-yl]butan-2-amine (PubChem CID 173029681) has the molecular formula C10H24AsN3 and a molecular weight of 261.24 g/mol. Its IUPAC name is 1-[4-(1-arsanylethyl)piperazin-1-yl]butan-2-amine.

Molecular Properties

Compound Name1-[4-(1-arsanylethyl)piperazin-1-yl]butan-2-amine
PubChem CID173029681
Molecular FormulaC10H24AsN3
Molecular Weight261.24 g/mol
Exact Mass261.12
IUPAC Name1-[4-(1-arsanylethyl)piperazin-1-yl]butan-2-amine
SMILESCCC(N)CN1CCN(C(C)[AsH2])CC1
InChIInChI=1S/C10H24AsN3/c1-3-10(12)8-13-4-6-14(7-5-13)9(2)11/h9-10H,3-8,11-12H2,1-2H3
InChIKeySXBINMWOTMSNJW-UHFFFAOYSA-N
XLogP-0.68
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(1-arsanylethyl)piperazin-1-yl]ethylarsane
CID 173199975
2-amino-3-(4-butan-2-ylpiperazin-1-yl)propan-1-ol
CID 64786472
1-(8-azaspiro[4.5]decan-8-yl)butan-2-amine
CID 63160833
1-[4-(2-aminobutyl)piperazin-1-yl]butan-2-amine;1-[4-(2-aminoethyl)piperazin-1-yl]butan-2-amine;1-[4-(2-aminopropyl)piperazin-1-yl]propan-2-amine;1-piperazin-1-ylbutan-2-amine;1-piperazin-1-ylpropan-2-amine
CID 159939568
(2R)-1-(4-methylazepan-1-yl)butan-2-amine
CID 130522357
2-amino-3-(4-butan-2-ylpiperazin-1-yl)propanenitrile
CID 62772513
3-[4-(2-methylpropyl)piperazin-1-yl]heptan-4-amine
CID 62778147
(2S)-1-(4-propylpiperazin-1-yl)pentan-2-amine
CID 93255682
1-[4-(1-aminobutan-2-yl)piperazin-1-yl]propan-2-ol
CID 65278022
3-[4-(3-amino-2-methylpropyl)piperazin-1-yl]-2-methylpropan-1-amine;4-[4-(3-aminopropyl)piperazin-1-yl]butan-2-amine;1-(4-methylpiperazin-1-yl)butan-2-amine
CID 159573067
1-(3-propylazetidin-1-yl)butan-2-amine
CID 79678155
1-(2-azaspiro[3.3]heptan-2-yl)butan-2-amine
CID 79678512

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-arsanylethyl)piperazin-1-yl]butan-2-amine?
The IUPAC name of 1-[4-(1-arsanylethyl)piperazin-1-yl]butan-2-amine (CID 173029681) is 1-[4-(1-arsanylethyl)piperazin-1-yl]butan-2-amine.
What is the SMILES notation for 1-[4-(1-arsanylethyl)piperazin-1-yl]butan-2-amine?
The canonical SMILES for 1-[4-(1-arsanylethyl)piperazin-1-yl]butan-2-amine is CCC(N)CN1CCN(C(C)[AsH2])CC1.
What is the InChIKey of 1-[4-(1-arsanylethyl)piperazin-1-yl]butan-2-amine?
The InChIKey is SXBINMWOTMSNJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24AsN3/c1-3-10(12)8-13-4-6-14(7-5-13)9(2)11/h9-10H,3-8,11-12H2,1-2H3.
What are the key properties of 1-[4-(1-arsanylethyl)piperazin-1-yl]butan-2-amine?
1-[4-(1-arsanylethyl)piperazin-1-yl]butan-2-amine has a molecular weight of 261.24 g/mol, XLogP of -0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-arsanylethyl)piperazin-1-yl]butan-2-amine is sourced from PubChem (CID 173029681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).