6-arsohexan-2-amine

C6H14AsNO2 — CID 175792340

IUPAC6-arsohexan-2-amine
SMILESCC(N)CCCC[As](=O)=O
InChIInChI=1S/C6H14AsNO2/c1-6(8)4-2-3-5-7(9)10/h6H,2-5,8H2,1H3
InChIKeyAPHUAFMMJCXYLO-UHFFFAOYSA-N
MW207.10 g/mol
LogP0.85
Rot. Bonds5

About 6-arsohexan-2-amine

6-arsohexan-2-amine (PubChem CID 175792340) has the molecular formula C6H14AsNO2 and a molecular weight of 207.10 g/mol. Its IUPAC name is 6-arsohexan-2-amine.

Molecular Properties

Compound Name6-arsohexan-2-amine
PubChem CID175792340
Molecular FormulaC6H14AsNO2
Molecular Weight207.10 g/mol
Exact Mass207.02
IUPAC Name6-arsohexan-2-amine
SMILESCC(N)CCCC[As](=O)=O
InChIInChI=1S/C6H14AsNO2/c1-6(8)4-2-3-5-7(9)10/h6H,2-5,8H2,1H3
InChIKeyAPHUAFMMJCXYLO-UHFFFAOYSA-N
XLogP0.85
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.10
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

docosane-2,21-diamine
CID 150079956
(6S)-6-aminoheptanoic acid
CID 54134193
14-aminopentadecanoic acid
CID 87306551
10-aminoundecanoic acid
CID 3771397
carbamic acid;undecan-2-amine
CID 175209089
propanoic acid;tetradecan-2-amine
CID 173174901
bis(hexan-2-amine);oxalic acid
CID 175216358
(2S,6S)-6-amino-2-methylheptanoic acid
CID 93493350
6-amino-2-oxoheptanoic acid
CID 87327623
(2S)-tridecan-2-amine
CID 24884182
decane-1,9-diamine
CID 23448369
4-aminopentan-1-ol;hydrochloride
CID 75212867

Frequently Asked Questions

What is the IUPAC name of 6-arsohexan-2-amine?
The IUPAC name of 6-arsohexan-2-amine (CID 175792340) is 6-arsohexan-2-amine.
What is the SMILES notation for 6-arsohexan-2-amine?
The canonical SMILES for 6-arsohexan-2-amine is CC(N)CCCC[As](=O)=O.
What is the InChIKey of 6-arsohexan-2-amine?
The InChIKey is APHUAFMMJCXYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14AsNO2/c1-6(8)4-2-3-5-7(9)10/h6H,2-5,8H2,1H3.
What are the key properties of 6-arsohexan-2-amine?
6-arsohexan-2-amine has a molecular weight of 207.10 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-arsohexan-2-amine is sourced from PubChem (CID 175792340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).