1,2-diethyl-2-methylpyrrolidine;ethane

C13H31N — CID 170583646

IUPAC1,2-diethyl-2-methylpyrrolidine;ethane
SMILESCC.CC.CCN1CCCC1(C)CC
InChIInChI=1S/C9H19N.2C2H6/c1-4-9(3)7-6-8-10(9)5-2;2*1-2/h4-8H2,1-3H3;2*1-2H3
InChIKeyIIIAHLVZPRTORM-UHFFFAOYSA-N
MW201.40 g/mol
LogP4.32
Rot. Bonds2

About 1,2-diethyl-2-methylpyrrolidine;ethane

1,2-diethyl-2-methylpyrrolidine;ethane (PubChem CID 170583646) has the molecular formula C13H31N and a molecular weight of 201.40 g/mol. Its IUPAC name is 1,2-diethyl-2-methylpyrrolidine;ethane.

Molecular Properties

Compound Name1,2-diethyl-2-methylpyrrolidine;ethane
PubChem CID170583646
Molecular FormulaC13H31N
Molecular Weight201.40 g/mol
Exact Mass201.25
IUPAC Name1,2-diethyl-2-methylpyrrolidine;ethane
SMILESCC.CC.CCN1CCCC1(C)CC
InChIInChI=1S/C9H19N.2C2H6/c1-4-9(3)7-6-8-10(9)5-2;2*1-2/h4-8H2,1-3H3;2*1-2H3
InChIKeyIIIAHLVZPRTORM-UHFFFAOYSA-N
XLogP4.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.40
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,2-diethyl-2-methylpyrrolidine;ethane with MolForge

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

Launch Full Analysis

Related Compounds

1,2-diethyl-2,3,3-trimethylpiperidine
CID 70617472
1,6-diethyl-1,6-diazaspiro[4.4]nonane
CID 89371000
3-ethyl-1,2,3-trimethyldiazinane
CID 178101796
1-butyl-2-methyl-2-propylpyrrolidine;ethane
CID 170624322
3,4-diethyl-3-methylmorpholine
CID 127682047
1,2,2-triethylpiperidine;hydrate
CID 175130909
1-ethyl-1,6-diazaspiro[4.4]nonane
CID 170571632
5-propyl-5-azaspiro[3.4]octane
CID 131103663
1-ethyl-2-methyl-2-propan-2-ylazocane
CID 130400145
1-ethyl-3-methyl-3-propylpiperidine
CID 130676337
7-[(1-ethyl-2-methylpyrrolidin-2-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076530
ethane;1-ethyl-1,7-diazaspiro[3.5]nonane
CID 156709724

Frequently Asked Questions

What is the IUPAC name of 1,2-diethyl-2-methylpyrrolidine;ethane?
The IUPAC name of 1,2-diethyl-2-methylpyrrolidine;ethane (CID 170583646) is 1,2-diethyl-2-methylpyrrolidine;ethane.
What is the SMILES notation for 1,2-diethyl-2-methylpyrrolidine;ethane?
The canonical SMILES for 1,2-diethyl-2-methylpyrrolidine;ethane is CC.CC.CCN1CCCC1(C)CC.
What is the InChIKey of 1,2-diethyl-2-methylpyrrolidine;ethane?
The InChIKey is IIIAHLVZPRTORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N.2C2H6/c1-4-9(3)7-6-8-10(9)5-2;2*1-2/h4-8H2,1-3H3;2*1-2H3.
What are the key properties of 1,2-diethyl-2-methylpyrrolidine;ethane?
1,2-diethyl-2-methylpyrrolidine;ethane has a molecular weight of 201.40 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diethyl-2-methylpyrrolidine;ethane is sourced from PubChem (CID 170583646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).