azane;N,N-dimethyl-2-(oxiran-2-yl)ethanamine;hydrochloride

C6H17ClN2O — CID 174892237

IUPACazane;N,N-dimethyl-2-(oxiran-2-yl)ethanamine;hydrochloride
SMILESCN(C)CCC1CO1.Cl.N
InChIInChI=1S/C6H13NO.ClH.H3N/c1-7(2)4-3-6-5-8-6;;/h6H,3-5H2,1-2H3;1H;1H3
InChIKeyLAYSTFMDJOQOQJ-UHFFFAOYSA-N
MW168.67 g/mol
LogP0.92
Rot. Bonds3

About azane;N,N-dimethyl-2-(oxiran-2-yl)ethanamine;hydrochloride

azane;N,N-dimethyl-2-(oxiran-2-yl)ethanamine;hydrochloride (PubChem CID 174892237) has the molecular formula C6H17ClN2O and a molecular weight of 168.67 g/mol. Its IUPAC name is azane;N,N-dimethyl-2-(oxiran-2-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Nameazane;N,N-dimethyl-2-(oxiran-2-yl)ethanamine;hydrochloride
PubChem CID174892237
Molecular FormulaC6H17ClN2O
Molecular Weight168.67 g/mol
Exact Mass168.10
IUPAC Nameazane;N,N-dimethyl-2-(oxiran-2-yl)ethanamine;hydrochloride
SMILESCN(C)CCC1CO1.Cl.N
InChIInChI=1S/C6H13NO.ClH.H3N/c1-7(2)4-3-6-5-8-6;;/h6H,3-5H2,1-2H3;1H;1H3
InChIKeyLAYSTFMDJOQOQJ-UHFFFAOYSA-N
XLogP0.92
TPSA50.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.67
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-7-(oxiran-2-yl)heptan-1-amine
CID 160855630
2-[(4R)-2,2-diiodo-1,3-dioxolan-4-yl]-N,N-dimethylethanamine
CID 175908064
2-[2-[2-(dimethylamino)ethyl]-1,3-dioxolan-4-yl]ethanamine
CID 117170153
N,N-dimethyl-1-(oxiran-2-yl)methanamine
CID 161234843
N,N-dimethyldodecan-1-amine;oxiran-2-ylmethanol;hydrochloride
CID 174594174
N,N-dimethyl-2-(4-methyl-1,3-oxazolidin-2-yl)ethanamine
CID 117228622
N-benzyl-N-methyl-2-[(2R)-oxiran-2-yl]ethanamine;N-benzyl-N-methyl-2-[(2S)-oxiran-2-yl]ethanamine
CID 161280376
2-(2,5-dimethylcyclopentyl)-N,N-dimethylethanamine
CID 168836520
N,N-dimethyl-2-[4-(oxiran-2-ylmethyl)piperazin-1-yl]ethanamine
CID 62887185
2-(2,5-diiodo-1,3-dioxan-4-yl)-N,N-dimethylethanamine
CID 175483609
N,N-dimethyl-N'-(oxiran-2-ylmethyl)-N'-[[(2R)-oxiran-2-yl]methyl]methanediamine
CID 166989099
(2R)-2-[14-[(2S)-oxiran-2-yl]tetradecyl]oxirane
CID 92538674

Frequently Asked Questions

What is the IUPAC name of azane;N,N-dimethyl-2-(oxiran-2-yl)ethanamine;hydrochloride?
The IUPAC name of azane;N,N-dimethyl-2-(oxiran-2-yl)ethanamine;hydrochloride (CID 174892237) is azane;N,N-dimethyl-2-(oxiran-2-yl)ethanamine;hydrochloride.
What is the SMILES notation for azane;N,N-dimethyl-2-(oxiran-2-yl)ethanamine;hydrochloride?
The canonical SMILES for azane;N,N-dimethyl-2-(oxiran-2-yl)ethanamine;hydrochloride is CN(C)CCC1CO1.Cl.N.
What is the InChIKey of azane;N,N-dimethyl-2-(oxiran-2-yl)ethanamine;hydrochloride?
The InChIKey is LAYSTFMDJOQOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO.ClH.H3N/c1-7(2)4-3-6-5-8-6;;/h6H,3-5H2,1-2H3;1H;1H3.
What are the key properties of azane;N,N-dimethyl-2-(oxiran-2-yl)ethanamine;hydrochloride?
azane;N,N-dimethyl-2-(oxiran-2-yl)ethanamine;hydrochloride has a molecular weight of 168.67 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;N,N-dimethyl-2-(oxiran-2-yl)ethanamine;hydrochloride is sourced from PubChem (CID 174892237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).