acetic acid;N-octadecylarsanylpropan-1-amine

C23H50AsNO2 — CID 173498797

IUPACacetic acid;N-octadecylarsanylpropan-1-amine
SMILESCC(=O)O.CCCCCCCCCCCCCCCCCC[AsH]NCCC
InChIInChI=1S/C21H46AsN.C2H4O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-23-21-4-2;1-2(3)4/h22-23H,3-21H2,1-2H3;1H3,(H,3,4)
InChIKeyYNBVOXRCNACPJO-UHFFFAOYSA-N
MW447.58 g/mol
LogP7.11
Rot. Bonds20

About acetic acid;N-octadecylarsanylpropan-1-amine

acetic acid;N-octadecylarsanylpropan-1-amine (PubChem CID 173498797) has the molecular formula C23H50AsNO2 and a molecular weight of 447.58 g/mol. Its IUPAC name is acetic acid;N-octadecylarsanylpropan-1-amine.

Molecular Properties

Compound Nameacetic acid;N-octadecylarsanylpropan-1-amine
PubChem CID173498797
Molecular FormulaC23H50AsNO2
Molecular Weight447.58 g/mol
Exact Mass447.31
IUPAC Nameacetic acid;N-octadecylarsanylpropan-1-amine
SMILESCC(=O)O.CCCCCCCCCCCCCCCCCC[AsH]NCCC
InChIInChI=1S/C21H46AsN.C2H4O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-23-21-4-2;1-2(3)4/h22-23H,3-21H2,1-2H3;1H3,(H,3,4)
InChIKeyYNBVOXRCNACPJO-UHFFFAOYSA-N
XLogP7.11
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.58
LogP ≤ 57.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

acetic acid;1-octadecyl-2-propylhydrazine
CID 22323613
acetic acid;decane
CID 172853582
acetic acid;nonane
CID 174272180
acetic acid;N'-(2-aminoethyl)ethane-1,2-diamine;tetrakis(decane)
CID 173077422
acetic acid;N,N-didodecyldodecan-1-amine
CID 173289762
acetic acid;ethyl(trioctyl)phosphanium;phosphane
CID 174682784
acetic acid;hexan-1-amine
CID 174564294
acetic acid;dodecane;guanidine;phosphane
CID 175312281
acetic acid;hexacosan-1-amine
CID 172814522
acetic acid;decanoic acid
CID 159015360
carbonic acid;N-hexylhexan-1-amine
CID 174995198
CID 162310695
CID 162310695

Frequently Asked Questions

What is the IUPAC name of acetic acid;N-octadecylarsanylpropan-1-amine?
The IUPAC name of acetic acid;N-octadecylarsanylpropan-1-amine (CID 173498797) is acetic acid;N-octadecylarsanylpropan-1-amine.
What is the SMILES notation for acetic acid;N-octadecylarsanylpropan-1-amine?
The canonical SMILES for acetic acid;N-octadecylarsanylpropan-1-amine is CC(=O)O.CCCCCCCCCCCCCCCCCC[AsH]NCCC.
What is the InChIKey of acetic acid;N-octadecylarsanylpropan-1-amine?
The InChIKey is YNBVOXRCNACPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H46AsN.C2H4O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-23-21-4-2;1-2(3)4/h22-23H,3-21H2,1-2H3;1H3,(H,3,4).
What are the key properties of acetic acid;N-octadecylarsanylpropan-1-amine?
acetic acid;N-octadecylarsanylpropan-1-amine has a molecular weight of 447.58 g/mol, XLogP of 7.11, 20 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;N-octadecylarsanylpropan-1-amine is sourced from PubChem (CID 173498797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).