1-[3-(3,4-diethylpyrrolidin-1-yl)propyl]-3,4-diethylpyrrolidine

C19H38N2 — CID 21041944

IUPAC1-[3-(3,4-diethylpyrrolidin-1-yl)propyl]-3,4-diethylpyrrolidine
SMILESCCC1CN(CCCN2CC(CC)C(CC)C2)CC1CC
InChIInChI=1S/C19H38N2/c1-5-16-12-20(13-17(16)6-2)10-9-11-21-14-18(7-3)19(8-4)15-21/h16-19H,5-15H2,1-4H3
InChIKeyNQWYCFXQTJECTH-UHFFFAOYSA-N
MW294.53 g/mol
LogP4.11
Rot. Bonds8

About 1-[3-(3,4-diethylpyrrolidin-1-yl)propyl]-3,4-diethylpyrrolidine

1-[3-(3,4-diethylpyrrolidin-1-yl)propyl]-3,4-diethylpyrrolidine (PubChem CID 21041944) has the molecular formula C19H38N2 and a molecular weight of 294.53 g/mol. Its IUPAC name is 1-[3-(3,4-diethylpyrrolidin-1-yl)propyl]-3,4-diethylpyrrolidine.

Molecular Properties

Compound Name1-[3-(3,4-diethylpyrrolidin-1-yl)propyl]-3,4-diethylpyrrolidine
PubChem CID21041944
Molecular FormulaC19H38N2
Molecular Weight294.53 g/mol
Exact Mass294.30
IUPAC Name1-[3-(3,4-diethylpyrrolidin-1-yl)propyl]-3,4-diethylpyrrolidine
SMILESCCC1CN(CCCN2CC(CC)C(CC)C2)CC1CC
InChIInChI=1S/C19H38N2/c1-5-16-12-20(13-17(16)6-2)10-9-11-21-14-18(7-3)19(8-4)15-21/h16-19H,5-15H2,1-4H3
InChIKeyNQWYCFXQTJECTH-UHFFFAOYSA-N
XLogP4.11
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.53
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-methyl-2-[(3R)-1-methylpyrrolidin-3-yl]pyrrolidine
CID 162982738
1-Methyl-2-(1-methylpyrrolidin-3-yl)pyrrolidine
CID 58400596
(3R)-3-fluoro-4-(4-fluoro-1-methylpyrrolidin-3-yl)-1-methylpyrrolidine
CID 91114812
N-[3-[1-[[(4R)-4-fluoropyrrolidin-3-yl]methyl]pyrrolidin-3-yl]butyl]-3-methylbutan-1-amine
CID 174346016
5-methyl-N-(3-methylbutyl)-N-(3-pyrrolidin-1-ylpropyl)hexan-1-amine
CID 15030040
N-ethyl-N-[(4-ethyl-1-methylpyrrolidin-3-yl)methyl]ethanamine
CID 18723540
1-[10-(3,4-Diethyl-1-methylpyrrolidin-1-ium-1-yl)decyl]-3,4-diethyl-1-methylpyrrolidin-1-ium
CID 20583695
1-[10-(3,4-Diethylpyrrolidin-1-yl)decyl]-3,4-diethylpyrrolidine
CID 20583697
2,3-Diethyl-5-azoniaspiro[4.4]nonane
CID 20676420
1,1-Dibutyl-3,4-diethylpyrrolidin-1-ium
CID 20730048
1-[1-(3,4-Diethyl-1-methylpyrrolidin-1-ium-1-yl)decyl]-3,4-diethyl-1-methylpyrrolidin-1-ium
CID 21354879
3-Ethyl-4-[2-(4-ethyl-1,1-dimethylpyrrolidin-1-ium-3-yl)ethyl]-1,1-dimethylpyrrolidin-1-ium
CID 57604619

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,4-diethylpyrrolidin-1-yl)propyl]-3,4-diethylpyrrolidine?
The IUPAC name of 1-[3-(3,4-diethylpyrrolidin-1-yl)propyl]-3,4-diethylpyrrolidine (CID 21041944) is 1-[3-(3,4-diethylpyrrolidin-1-yl)propyl]-3,4-diethylpyrrolidine.
What is the SMILES notation for 1-[3-(3,4-diethylpyrrolidin-1-yl)propyl]-3,4-diethylpyrrolidine?
The canonical SMILES for 1-[3-(3,4-diethylpyrrolidin-1-yl)propyl]-3,4-diethylpyrrolidine is CCC1CN(CCCN2CC(CC)C(CC)C2)CC1CC.
What is the InChIKey of 1-[3-(3,4-diethylpyrrolidin-1-yl)propyl]-3,4-diethylpyrrolidine?
The InChIKey is NQWYCFXQTJECTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2/c1-5-16-12-20(13-17(16)6-2)10-9-11-21-14-18(7-3)19(8-4)15-21/h16-19H,5-15H2,1-4H3.
What are the key properties of 1-[3-(3,4-diethylpyrrolidin-1-yl)propyl]-3,4-diethylpyrrolidine?
1-[3-(3,4-diethylpyrrolidin-1-yl)propyl]-3,4-diethylpyrrolidine has a molecular weight of 294.53 g/mol, XLogP of 4.11, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,4-diethylpyrrolidin-1-yl)propyl]-3,4-diethylpyrrolidine is sourced from PubChem (CID 21041944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).