ethane;4-(methoxymethyl)-4-methylpyrrolidin-3-amine

C9H22N2O — CID 153402279

IUPACethane;4-(methoxymethyl)-4-methylpyrrolidin-3-amine
SMILESCC.COCC1(C)CNCC1N
InChIInChI=1S/C7H16N2O.C2H6/c1-7(5-10-2)4-9-3-6(7)8;1-2/h6,9H,3-5,8H2,1-2H3;1-2H3
InChIKeyGSFBILUCDRIIEZ-UHFFFAOYSA-N
MW174.29 g/mol
LogP0.60
Rot. Bonds2

About ethane;4-(methoxymethyl)-4-methylpyrrolidin-3-amine

ethane;4-(methoxymethyl)-4-methylpyrrolidin-3-amine (PubChem CID 153402279) has the molecular formula C9H22N2O and a molecular weight of 174.29 g/mol. Its IUPAC name is ethane;4-(methoxymethyl)-4-methylpyrrolidin-3-amine.

Molecular Properties

Compound Nameethane;4-(methoxymethyl)-4-methylpyrrolidin-3-amine
PubChem CID153402279
Molecular FormulaC9H22N2O
Molecular Weight174.29 g/mol
Exact Mass174.17
IUPAC Nameethane;4-(methoxymethyl)-4-methylpyrrolidin-3-amine
SMILESCC.COCC1(C)CNCC1N
InChIInChI=1S/C7H16N2O.C2H6/c1-7(5-10-2)4-9-3-6(7)8;1-2/h6,9H,3-5,8H2,1-2H3;1-2H3
InChIKeyGSFBILUCDRIIEZ-UHFFFAOYSA-N
XLogP0.60
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze ethane;4-(methoxymethyl)-4-methylpyrrolidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;4-(methoxymethyl)-4-methylpyrrolidin-3-amine?
The IUPAC name of ethane;4-(methoxymethyl)-4-methylpyrrolidin-3-amine (CID 153402279) is ethane;4-(methoxymethyl)-4-methylpyrrolidin-3-amine.
What is the SMILES notation for ethane;4-(methoxymethyl)-4-methylpyrrolidin-3-amine?
The canonical SMILES for ethane;4-(methoxymethyl)-4-methylpyrrolidin-3-amine is CC.COCC1(C)CNCC1N.
What is the InChIKey of ethane;4-(methoxymethyl)-4-methylpyrrolidin-3-amine?
The InChIKey is GSFBILUCDRIIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O.C2H6/c1-7(5-10-2)4-9-3-6(7)8;1-2/h6,9H,3-5,8H2,1-2H3;1-2H3.
What are the key properties of ethane;4-(methoxymethyl)-4-methylpyrrolidin-3-amine?
ethane;4-(methoxymethyl)-4-methylpyrrolidin-3-amine has a molecular weight of 174.29 g/mol, XLogP of 0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(methoxymethyl)-4-methylpyrrolidin-3-amine is sourced from PubChem (CID 153402279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).