1,3-diethyl-3-propan-2-ylpyrrolidine

C11H23N — CID 131976816

IUPAC1,3-diethyl-3-propan-2-ylpyrrolidine
SMILESCCN1CCC(CC)(C(C)C)C1
InChIInChI=1S/C11H23N/c1-5-11(10(3)4)7-8-12(6-2)9-11/h10H,5-9H2,1-4H3
InChIKeyXHNKCERSYQQAOO-UHFFFAOYSA-N
MW169.31 g/mol
LogP2.76
Rot. Bonds3

About 1,3-diethyl-3-propan-2-ylpyrrolidine

1,3-diethyl-3-propan-2-ylpyrrolidine (PubChem CID 131976816) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is 1,3-diethyl-3-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name1,3-diethyl-3-propan-2-ylpyrrolidine
PubChem CID131976816
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name1,3-diethyl-3-propan-2-ylpyrrolidine
SMILESCCN1CCC(CC)(C(C)C)C1
InChIInChI=1S/C11H23N/c1-5-11(10(3)4)7-8-12(6-2)9-11/h10H,5-9H2,1-4H3
InChIKeyXHNKCERSYQQAOO-UHFFFAOYSA-N
XLogP2.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethyl-1-propan-2-ylcyclopropane
CID 22977902
ethane;7-ethyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane
CID 164540860
1-ethyl-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984242
1,3-diethylpyrrolidin-3-ol
CID 67586028
1-ethyl-4-fluoro-4-propan-2-ylpiperidine
CID 163258367
6-ethyl-1,2,6-triazaspiro[2.4]hept-1-ene
CID 121460088
ethane;8-ethyl-6,6-difluoro-2-propan-2-yl-2,8-diazaspiro[4.5]decane
CID 176558131
3,9-diethyl-3,9-diazaspiro[5.5]undecane
CID 20622591
1,4-diethyl-4-iodopiperidine
CID 118535824
ethane;2-ethyl-7-propan-2-yl-2,7-diazaspiro[3.4]octane
CID 156798626
7-ethyl-1-oxa-7-azaspiro[3.4]octane
CID 121247158
(3aR,6aS)-2-ethyl-3a,6a-dimethyl-5-propan-2-yl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole
CID 170578237

Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-3-propan-2-ylpyrrolidine?
The IUPAC name of 1,3-diethyl-3-propan-2-ylpyrrolidine (CID 131976816) is 1,3-diethyl-3-propan-2-ylpyrrolidine.
What is the SMILES notation for 1,3-diethyl-3-propan-2-ylpyrrolidine?
The canonical SMILES for 1,3-diethyl-3-propan-2-ylpyrrolidine is CCN1CCC(CC)(C(C)C)C1.
What is the InChIKey of 1,3-diethyl-3-propan-2-ylpyrrolidine?
The InChIKey is XHNKCERSYQQAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-5-11(10(3)4)7-8-12(6-2)9-11/h10H,5-9H2,1-4H3.
What are the key properties of 1,3-diethyl-3-propan-2-ylpyrrolidine?
1,3-diethyl-3-propan-2-ylpyrrolidine has a molecular weight of 169.31 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-3-propan-2-ylpyrrolidine is sourced from PubChem (CID 131976816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).