3,3-diethyl-1-methylpyrrolidine;ethane

C11H25N — CID 177188289

IUPAC3,3-diethyl-1-methylpyrrolidine;ethane
SMILESCC.CCC1(CC)CCN(C)C1
InChIInChI=1S/C9H19N.C2H6/c1-4-9(5-2)6-7-10(3)8-9;1-2/h4-8H2,1-3H3;1-2H3
InChIKeyFIWBVTVOXAOWAQ-UHFFFAOYSA-N
MW171.33 g/mol
LogP3.15
Rot. Bonds2

About 3,3-diethyl-1-methylpyrrolidine;ethane

3,3-diethyl-1-methylpyrrolidine;ethane (PubChem CID 177188289) has the molecular formula C11H25N and a molecular weight of 171.33 g/mol. Its IUPAC name is 3,3-diethyl-1-methylpyrrolidine;ethane.

Molecular Properties

Compound Name3,3-diethyl-1-methylpyrrolidine;ethane
PubChem CID177188289
Molecular FormulaC11H25N
Molecular Weight171.33 g/mol
Exact Mass171.20
IUPAC Name3,3-diethyl-1-methylpyrrolidine;ethane
SMILESCC.CCC1(CC)CCN(C)C1
InChIInChI=1S/C9H19N.C2H6/c1-4-9(5-2)6-7-10(3)8-9;1-2/h4-8H2,1-3H3;1-2H3
InChIKeyFIWBVTVOXAOWAQ-UHFFFAOYSA-N
XLogP3.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.33
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;3-ethyl-3-(ethylsulfanylmethyl)-1-methylpyrrolidine
CID 145416385
1-(3-ethyl-1-methylpyrrolidin-3-yl)-N,N-dimethylmethanamine
CID 129233925
3-ethyl-3-(methoxymethyl)-1-methylpyrrolidine
CID 130347228
ethane;3-ethyl-1-methyl-3-(3-methylpentyl)pyrrolidine
CID 172617220
3-ethyl-3-(2-methoxyethyl)-1-methylpyrrolidine
CID 164595752
3,3-difluoro-1-methylpyrrolidine;propane
CID 143065590
1-(4-ethyl-1-methylpiperidin-4-yl)-N-methylmethanamine
CID 83635773
ethane;N-ethyl-2-(4-ethyl-1-methylpiperidin-4-yl)ethanamine
CID 177188375
1-(3-ethyl-1-methylpiperidin-3-yl)-N,N-dimethylmethanamine
CID 143448779
1-methyl-3,3-bis[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 167387422
(3S)-3-ethyl-1-methylpyrrolidin-3-ol
CID 166166966
2,7-dimethyl-2,7-diazaspiro[4.4]nonane;ethane
CID 144510455

Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-1-methylpyrrolidine;ethane?
The IUPAC name of 3,3-diethyl-1-methylpyrrolidine;ethane (CID 177188289) is 3,3-diethyl-1-methylpyrrolidine;ethane.
What is the SMILES notation for 3,3-diethyl-1-methylpyrrolidine;ethane?
The canonical SMILES for 3,3-diethyl-1-methylpyrrolidine;ethane is CC.CCC1(CC)CCN(C)C1.
What is the InChIKey of 3,3-diethyl-1-methylpyrrolidine;ethane?
The InChIKey is FIWBVTVOXAOWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N.C2H6/c1-4-9(5-2)6-7-10(3)8-9;1-2/h4-8H2,1-3H3;1-2H3.
What are the key properties of 3,3-diethyl-1-methylpyrrolidine;ethane?
3,3-diethyl-1-methylpyrrolidine;ethane has a molecular weight of 171.33 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-1-methylpyrrolidine;ethane is sourced from PubChem (CID 177188289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).