ethane;8-(methoxymethyl)-N,N-dimethyl-1,2,3,5,6,7-hexahydropyrrolizin-2-amine

C13H28N2O — CID 169228777

IUPACethane;8-(methoxymethyl)-N,N-dimethyl-1,2,3,5,6,7-hexahydropyrrolizin-2-amine
SMILESCC.COCC12CCCN1CC(N(C)C)C2
InChIInChI=1S/C11H22N2O.C2H6/c1-12(2)10-7-11(9-14-3)5-4-6-13(11)8-10;1-2/h10H,4-9H2,1-3H3;1-2H3
InChIKeyJUMWJVKRZFYFII-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.83
Rot. Bonds3

About ethane;8-(methoxymethyl)-N,N-dimethyl-1,2,3,5,6,7-hexahydropyrrolizin-2-amine

ethane;8-(methoxymethyl)-N,N-dimethyl-1,2,3,5,6,7-hexahydropyrrolizin-2-amine (PubChem CID 169228777) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is ethane;8-(methoxymethyl)-N,N-dimethyl-1,2,3,5,6,7-hexahydropyrrolizin-2-amine.

Molecular Properties

Compound Nameethane;8-(methoxymethyl)-N,N-dimethyl-1,2,3,5,6,7-hexahydropyrrolizin-2-amine
PubChem CID169228777
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Nameethane;8-(methoxymethyl)-N,N-dimethyl-1,2,3,5,6,7-hexahydropyrrolizin-2-amine
SMILESCC.COCC12CCCN1CC(N(C)C)C2
InChIInChI=1S/C11H22N2O.C2H6/c1-12(2)10-7-11(9-14-3)5-4-6-13(11)8-10;1-2/h10H,4-9H2,1-3H3;1-2H3
InChIKeyJUMWJVKRZFYFII-UHFFFAOYSA-N
XLogP1.83
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;8-(methoxymethyl)-N,N-dimethyl-1,2,3,5,6,7-hexahydropyrrolizin-2-amine?
The IUPAC name of ethane;8-(methoxymethyl)-N,N-dimethyl-1,2,3,5,6,7-hexahydropyrrolizin-2-amine (CID 169228777) is ethane;8-(methoxymethyl)-N,N-dimethyl-1,2,3,5,6,7-hexahydropyrrolizin-2-amine.
What is the SMILES notation for ethane;8-(methoxymethyl)-N,N-dimethyl-1,2,3,5,6,7-hexahydropyrrolizin-2-amine?
The canonical SMILES for ethane;8-(methoxymethyl)-N,N-dimethyl-1,2,3,5,6,7-hexahydropyrrolizin-2-amine is CC.COCC12CCCN1CC(N(C)C)C2.
What is the InChIKey of ethane;8-(methoxymethyl)-N,N-dimethyl-1,2,3,5,6,7-hexahydropyrrolizin-2-amine?
The InChIKey is JUMWJVKRZFYFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O.C2H6/c1-12(2)10-7-11(9-14-3)5-4-6-13(11)8-10;1-2/h10H,4-9H2,1-3H3;1-2H3.
What are the key properties of ethane;8-(methoxymethyl)-N,N-dimethyl-1,2,3,5,6,7-hexahydropyrrolizin-2-amine?
ethane;8-(methoxymethyl)-N,N-dimethyl-1,2,3,5,6,7-hexahydropyrrolizin-2-amine has a molecular weight of 228.38 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;8-(methoxymethyl)-N,N-dimethyl-1,2,3,5,6,7-hexahydropyrrolizin-2-amine is sourced from PubChem (CID 169228777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).