diethyl-[1-(oxiran-2-yl)butan-2-yl]azanium chloride

C10H22ClNO — CID 21189215

IUPACdiethyl-[1-(oxiran-2-yl)butan-2-yl]azanium chloride
SMILESCCC(CC1CO1)[NH+](CC)CC.[Cl-]
InChIInChI=1S/C10H21NO.ClH/c1-4-9(7-10-8-12-10)11(5-2)6-3;/h9-10H,4-8H2,1-3H3;1H
InChIKeyAFMVVEWKMKYISR-UHFFFAOYSA-N
MW207.74 g/mol
LogP-2.52
Rot. Bonds6

About diethyl-[1-(oxiran-2-yl)butan-2-yl]azanium chloride

diethyl-[1-(oxiran-2-yl)butan-2-yl]azanium chloride (PubChem CID 21189215) has the molecular formula C10H22ClNO and a molecular weight of 207.74 g/mol. Its IUPAC name is diethyl-[1-(oxiran-2-yl)butan-2-yl]azanium chloride.

Molecular Properties

Compound Namediethyl-[1-(oxiran-2-yl)butan-2-yl]azanium chloride
PubChem CID21189215
Molecular FormulaC10H22ClNO
Molecular Weight207.74 g/mol
Exact Mass207.14
IUPAC Namediethyl-[1-(oxiran-2-yl)butan-2-yl]azanium chloride
SMILESCCC(CC1CO1)[NH+](CC)CC.[Cl-]
InChIInChI=1S/C10H21NO.ClH/c1-4-9(7-10-8-12-10)11(5-2)6-3;/h9-10H,4-8H2,1-3H3;1H
InChIKeyAFMVVEWKMKYISR-UHFFFAOYSA-N
XLogP-2.52
TPSA16.97 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.74
LogP ≤ 5-2.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

diethyl-[1-(oxiran-2-yl)heptan-2-yl]azanium chloride
CID 21189198
2-(2-methylbutyl)oxirane
CID 534610
2-[4-(oxiran-2-yl)-2,3-bis(oxiran-2-ylmethyl)butyl]oxirane
CID 175008248
2-[2-[2-(oxiran-2-ylmethyl)butoxymethyl]butyl]oxirane
CID 174658525
2-[2-(oxiran-2-ylmethyl)pentyl]oxirane;hydrate
CID 87791870
2-(2-chloropropyl)oxirane
CID 22340851
2-(oxiran-2-yl)ethane-1,1-diol
CID 156784168
2-(2-ethylhexadecyl)oxirane
CID 174869726
1-methyl-2-[(2R)-1-[(2S)-oxiran-2-yl]butan-2-yl]oxyhydrazine
CID 142189532
2-(2-methylhexyl)oxirane
CID 91241308
2-methyl-3-(oxiran-2-yl)propanal
CID 91185266
2-(2,4-dimethylpentyl)oxirane
CID 14618591

Frequently Asked Questions

What is the IUPAC name of diethyl-[1-(oxiran-2-yl)butan-2-yl]azanium chloride?
The IUPAC name of diethyl-[1-(oxiran-2-yl)butan-2-yl]azanium chloride (CID 21189215) is diethyl-[1-(oxiran-2-yl)butan-2-yl]azanium chloride.
What is the SMILES notation for diethyl-[1-(oxiran-2-yl)butan-2-yl]azanium chloride?
The canonical SMILES for diethyl-[1-(oxiran-2-yl)butan-2-yl]azanium chloride is CCC(CC1CO1)[NH+](CC)CC.[Cl-].
What is the InChIKey of diethyl-[1-(oxiran-2-yl)butan-2-yl]azanium chloride?
The InChIKey is AFMVVEWKMKYISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO.ClH/c1-4-9(7-10-8-12-10)11(5-2)6-3;/h9-10H,4-8H2,1-3H3;1H.
What are the key properties of diethyl-[1-(oxiran-2-yl)butan-2-yl]azanium chloride?
diethyl-[1-(oxiran-2-yl)butan-2-yl]azanium chloride has a molecular weight of 207.74 g/mol, XLogP of -2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[1-(oxiran-2-yl)butan-2-yl]azanium chloride is sourced from PubChem (CID 21189215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).