1-(2-aminoethoxy)-6-deuteriohexan-3-one

C8H17NO2 — CID 163566832

IUPAC1-(2-aminoethoxy)-6-deuteriohexan-3-one
SMILES[2H]CCCC(=O)CCOCCN
InChIInChI=1S/C8H17NO2/c1-2-3-8(10)4-6-11-7-5-9/h2-7,9H2,1H3/i1D
InChIKeyFVXRGYDPVLPYSR-MICDWDOJSA-N
MW160.24 g/mol
LogP0.72
Rot. Bonds8

About 1-(2-aminoethoxy)-6-deuteriohexan-3-one

1-(2-aminoethoxy)-6-deuteriohexan-3-one (PubChem CID 163566832) has the molecular formula C8H17NO2 and a molecular weight of 160.24 g/mol. Its IUPAC name is 1-(2-aminoethoxy)-6-deuteriohexan-3-one.

Molecular Properties

Compound Name1-(2-aminoethoxy)-6-deuteriohexan-3-one
PubChem CID163566832
Molecular FormulaC8H17NO2
Molecular Weight160.24 g/mol
Exact Mass160.13
IUPAC Name1-(2-aminoethoxy)-6-deuteriohexan-3-one
SMILES[2H]CCCC(=O)CCOCCN
InChIInChI=1S/C8H17NO2/c1-2-3-8(10)4-6-11-7-5-9/h2-7,9H2,1H3/i1D
InChIKeyFVXRGYDPVLPYSR-MICDWDOJSA-N
XLogP0.72
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-Aminoethoxy)-5,5-dimethylhexan-3-one
CID 58408655
1-[2-[2-[2-(2-Aminoethoxy)ethoxy]ethoxy]ethoxy]pentan-3-one
CID 58572820
1-(2-Aminoethoxy)-4-methylpentan-3-one
CID 89577586
1-(2-Aminoethoxy)pentan-3-one
CID 89777683
2-Amino-1-ethoxypentan-3-one;ethane
CID 142239454
1-[2-(2-Aminoethoxy)ethoxy]pentan-3-one
CID 142523135
4-(2-Aminoethoxy)pentan-2-one
CID 148484186
1-[2-(2-Aminoethoxy)ethoxy]-4-ethylhexan-3-one
CID 153555329
5-[2-(2-Aminoethoxy)-2-methylpropoxy]-5-methylhexan-3-one
CID 155152642
1-[2-[2-[2-(2-Aminoethoxy)ethoxy]ethoxy]ethoxy]hexan-3-one
CID 156047050
1-(2-Aminoethoxy)-4-methylpentan-3-one;ethane
CID 156735833
1-(2-Aminoethoxy)-4-methylpentan-3-one;methane
CID 164039455

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethoxy)-6-deuteriohexan-3-one?
The IUPAC name of 1-(2-aminoethoxy)-6-deuteriohexan-3-one (CID 163566832) is 1-(2-aminoethoxy)-6-deuteriohexan-3-one.
What is the SMILES notation for 1-(2-aminoethoxy)-6-deuteriohexan-3-one?
The canonical SMILES for 1-(2-aminoethoxy)-6-deuteriohexan-3-one is [2H]CCCC(=O)CCOCCN.
What is the InChIKey of 1-(2-aminoethoxy)-6-deuteriohexan-3-one?
The InChIKey is FVXRGYDPVLPYSR-MICDWDOJSA-N. The full InChI is InChI=1S/C8H17NO2/c1-2-3-8(10)4-6-11-7-5-9/h2-7,9H2,1H3/i1D.
What are the key properties of 1-(2-aminoethoxy)-6-deuteriohexan-3-one?
1-(2-aminoethoxy)-6-deuteriohexan-3-one has a molecular weight of 160.24 g/mol, XLogP of 0.72, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethoxy)-6-deuteriohexan-3-one is sourced from PubChem (CID 163566832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).