ethane;4-(2-methoxyethyl)-2,5-dimethylpiperazin-1-amine

C13H33N3O — CID 154684230

IUPACethane;4-(2-methoxyethyl)-2,5-dimethylpiperazin-1-amine
SMILESCC.CC.COCCN1CC(C)N(N)CC1C
InChIInChI=1S/C9H21N3O.2C2H6/c1-8-7-12(10)9(2)6-11(8)4-5-13-3;2*1-2/h8-9H,4-7,10H2,1-3H3;2*1-2H3
InChIKeyODAGWNFFPFCQJF-UHFFFAOYSA-N
MW247.43 g/mol
LogP1.95
Rot. Bonds3

About ethane;4-(2-methoxyethyl)-2,5-dimethylpiperazin-1-amine

ethane;4-(2-methoxyethyl)-2,5-dimethylpiperazin-1-amine (PubChem CID 154684230) has the molecular formula C13H33N3O and a molecular weight of 247.43 g/mol. Its IUPAC name is ethane;4-(2-methoxyethyl)-2,5-dimethylpiperazin-1-amine.

Molecular Properties

Compound Nameethane;4-(2-methoxyethyl)-2,5-dimethylpiperazin-1-amine
PubChem CID154684230
Molecular FormulaC13H33N3O
Molecular Weight247.43 g/mol
Exact Mass247.26
IUPAC Nameethane;4-(2-methoxyethyl)-2,5-dimethylpiperazin-1-amine
SMILESCC.CC.COCCN1CC(C)N(N)CC1C
InChIInChI=1S/C9H21N3O.2C2H6/c1-8-7-12(10)9(2)6-11(8)4-5-13-3;2*1-2/h8-9H,4-7,10H2,1-3H3;2*1-2H3
InChIKeyODAGWNFFPFCQJF-UHFFFAOYSA-N
XLogP1.95
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methoxyethyl)-2,5-dimethyl-4-methylsulfanylpiperazine
CID 154684370
(3R,5S)-1-(2-methoxyethyl)-5-methylpyrrolidin-3-ol
CID 99995143
1-(2-methoxyethyl)-2,6-dimethylazepane
CID 126991337
(1R,4R)-2-(2-methoxyethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane
CID 164971372
2-(chloromethyl)-4-(2-methoxyethyl)-5-methylmorpholine
CID 81210752
1-(2-methoxyethyl)-2-methyl-5-propylpiperazine
CID 64846555
1-(2-methoxyethyl)-3,3,7-trimethyl-1,4-diazepane
CID 64869408
[4-[2-(2-methoxyethoxy)ethyl]-5-methylmorpholin-2-yl]methanamine
CID 81217217
1-[3-(2-methoxyethoxy)propyl]-6-methylpiperidin-3-amine
CID 103411737
(2S)-2-amino-1-[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-4-methylpentan-1-one
CID 119880328
ethyl 1-(2-methoxyethyl)aziridine-2-carboxylate
CID 102511677
1-(2-methoxyethyl)-5-methyl-2-(oxan-4-yl)piperidine
CID 141155307

Frequently Asked Questions

What is the IUPAC name of ethane;4-(2-methoxyethyl)-2,5-dimethylpiperazin-1-amine?
The IUPAC name of ethane;4-(2-methoxyethyl)-2,5-dimethylpiperazin-1-amine (CID 154684230) is ethane;4-(2-methoxyethyl)-2,5-dimethylpiperazin-1-amine.
What is the SMILES notation for ethane;4-(2-methoxyethyl)-2,5-dimethylpiperazin-1-amine?
The canonical SMILES for ethane;4-(2-methoxyethyl)-2,5-dimethylpiperazin-1-amine is CC.CC.COCCN1CC(C)N(N)CC1C.
What is the InChIKey of ethane;4-(2-methoxyethyl)-2,5-dimethylpiperazin-1-amine?
The InChIKey is ODAGWNFFPFCQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O.2C2H6/c1-8-7-12(10)9(2)6-11(8)4-5-13-3;2*1-2/h8-9H,4-7,10H2,1-3H3;2*1-2H3.
What are the key properties of ethane;4-(2-methoxyethyl)-2,5-dimethylpiperazin-1-amine?
ethane;4-(2-methoxyethyl)-2,5-dimethylpiperazin-1-amine has a molecular weight of 247.43 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(2-methoxyethyl)-2,5-dimethylpiperazin-1-amine is sourced from PubChem (CID 154684230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).