3-ethyl-1-methylpyrrolidine;methane

C8H19N — CID 161184146

IUPAC3-ethyl-1-methylpyrrolidine;methane
SMILESC.CCC1CCN(C)C1
InChIInChI=1S/C7H15N.CH4/c1-3-7-4-5-8(2)6-7;/h7H,3-6H2,1-2H3;1H4
InChIKeyUSWBIAPBDUTCFX-UHFFFAOYSA-N
MW129.25 g/mol
LogP1.98
Rot. Bonds1

About 3-ethyl-1-methylpyrrolidine;methane

3-ethyl-1-methylpyrrolidine;methane (PubChem CID 161184146) has the molecular formula C8H19N and a molecular weight of 129.25 g/mol. Its IUPAC name is 3-ethyl-1-methylpyrrolidine;methane.

Molecular Properties

Compound Name3-ethyl-1-methylpyrrolidine;methane
PubChem CID161184146
Molecular FormulaC8H19N
Molecular Weight129.25 g/mol
Exact Mass129.15
IUPAC Name3-ethyl-1-methylpyrrolidine;methane
SMILESC.CCC1CCN(C)C1
InChIInChI=1S/C7H15N.CH4/c1-3-7-4-5-8(2)6-7;/h7H,3-6H2,1-2H3;1H4
InChIKeyUSWBIAPBDUTCFX-UHFFFAOYSA-N
XLogP1.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.25
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Pyrrolidine, 1-(2-methylpropyl)-
CID 142348
3-Methyl-1-pyrrolidinobutane
CID 12869920
1-(2-Methylpentyl)pyrrolidine
CID 54370492
N-(2'-Methylbutyl)pyrrolidine
CID 15180078
3-Ethyl-1-methyl-pyrrolidine
CID 20232190
Pentyl pyrrolidine
CID 15173890
1-Methyl-2-(1-methylethyl)pyrrolidine
CID 264798
1-Methyl-3-propylpyrrolidine
CID 18722953
Tetramethylpyrrolidine
CID 22033887
(S)-1-Isobutyl-2-methylpyrrolidine
CID 45087897
1-(2-Methylhexyl)pyrrolidine
CID 72457033
(2R)-2-methyl-1-(2-methylpropyl)pyrrolidine
CID 117852146

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methylpyrrolidine;methane?
The IUPAC name of 3-ethyl-1-methylpyrrolidine;methane (CID 161184146) is 3-ethyl-1-methylpyrrolidine;methane.
What is the SMILES notation for 3-ethyl-1-methylpyrrolidine;methane?
The canonical SMILES for 3-ethyl-1-methylpyrrolidine;methane is C.CCC1CCN(C)C1.
What is the InChIKey of 3-ethyl-1-methylpyrrolidine;methane?
The InChIKey is USWBIAPBDUTCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.CH4/c1-3-7-4-5-8(2)6-7;/h7H,3-6H2,1-2H3;1H4.
What are the key properties of 3-ethyl-1-methylpyrrolidine;methane?
3-ethyl-1-methylpyrrolidine;methane has a molecular weight of 129.25 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methylpyrrolidine;methane is sourced from PubChem (CID 161184146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).