3,4-bis[2-[4-[2-(4-ethyl-1-methylpyrrolidin-3-yl)ethyl]-1-methylpyrrolidin-3-yl]ethyl]-1-methylpyrrolidine

C37H71N5 — CID 90382204

IUPAC3,4-bis[2-[4-[2-(4-ethyl-1-methylpyrrolidin-3-yl)ethyl]-1-methylpyrrolidin-3-yl]ethyl]-1-methylpyrrolidine
SMILESCCC1CN(C)CC1CCC1CN(C)CC1CCC1CN(C)CC1CCC1CN(C)CC1CCC1CN(C)CC1CC
InChIInChI=1S/C37H71N5/c1-8-28-18-38(3)20-30(28)10-12-32-22-40(5)24-34(32)14-16-36-26-42(7)27-37(36)17-15-35-25-41(6)23-33(35)13-11-31-21-39(4)19-29(31)9-2/h28-37H,8-27H2,1-7H3
InChIKeyUFZJYWJUAWVWLF-UHFFFAOYSA-N
MW586.01 g/mol
LogP5.82
Rot. Bonds14

About 3,4-bis[2-[4-[2-(4-ethyl-1-methylpyrrolidin-3-yl)ethyl]-1-methylpyrrolidin-3-yl]ethyl]-1-methylpyrrolidine

3,4-bis[2-[4-[2-(4-ethyl-1-methylpyrrolidin-3-yl)ethyl]-1-methylpyrrolidin-3-yl]ethyl]-1-methylpyrrolidine (PubChem CID 90382204) has the molecular formula C37H71N5 and a molecular weight of 586.01 g/mol. Its IUPAC name is 3,4-bis[2-[4-[2-(4-ethyl-1-methylpyrrolidin-3-yl)ethyl]-1-methylpyrrolidin-3-yl]ethyl]-1-methylpyrrolidine.

Molecular Properties

Compound Name3,4-bis[2-[4-[2-(4-ethyl-1-methylpyrrolidin-3-yl)ethyl]-1-methylpyrrolidin-3-yl]ethyl]-1-methylpyrrolidine
PubChem CID90382204
Molecular FormulaC37H71N5
Molecular Weight586.01 g/mol
Exact Mass585.57
IUPAC Name3,4-bis[2-[4-[2-(4-ethyl-1-methylpyrrolidin-3-yl)ethyl]-1-methylpyrrolidin-3-yl]ethyl]-1-methylpyrrolidine
SMILESCCC1CN(C)CC1CCC1CN(C)CC1CCC1CN(C)CC1CCC1CN(C)CC1CCC1CN(C)CC1CC
InChIInChI=1S/C37H71N5/c1-8-28-18-38(3)20-30(28)10-12-32-22-40(5)24-34(32)14-16-36-26-42(7)27-37(36)17-15-35-25-41(6)23-33(35)13-11-31-21-39(4)19-29(31)9-2/h28-37H,8-27H2,1-7H3
InChIKeyUFZJYWJUAWVWLF-UHFFFAOYSA-N
XLogP5.82
TPSA16.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.01
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-ethyl-1-methylpyrrolidin-3-yl)methanamine
CID 84762713
3,4-diethyl-1,1-dimethylpyrrolidin-1-ium;3,4-diethyl-1-methylpyrrolidine;chloride;hydrochloride
CID 162135828
4-butyl-1-methylpyrrolidin-3-ol
CID 140584543
4-ethyl-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 154980100
3-cyclobutyl-4-ethyl-1-methylpyrrolidine;ethane
CID 91585358
1,3,4-trimethyl-5-propylpiperidine
CID 166940604
N-(4-ethyl-1-methylpyrrolidin-3-yl)propanamide
CID 131175770
2,6-diethyl-1,4-dimethylpiperazine
CID 21389198
1,3-dimethyl-4-pentylpyrrolidine
CID 145095379
(1-methylazetidin-3-yl)methanesulfonamide
CID 167468977
3,5-bis(2-hydroxyethyl)-1-methylpiperidin-4-ol
CID 129236515
1-(3,4-diethylpyrrolidin-1-yl)-2-[2-[2-(3,4-diethylpyrrolidin-1-yl)-2-oxoethoxy]ethoxy]ethanone
CID 20583703

Frequently Asked Questions

What is the IUPAC name of 3,4-bis[2-[4-[2-(4-ethyl-1-methylpyrrolidin-3-yl)ethyl]-1-methylpyrrolidin-3-yl]ethyl]-1-methylpyrrolidine?
The IUPAC name of 3,4-bis[2-[4-[2-(4-ethyl-1-methylpyrrolidin-3-yl)ethyl]-1-methylpyrrolidin-3-yl]ethyl]-1-methylpyrrolidine (CID 90382204) is 3,4-bis[2-[4-[2-(4-ethyl-1-methylpyrrolidin-3-yl)ethyl]-1-methylpyrrolidin-3-yl]ethyl]-1-methylpyrrolidine.
What is the SMILES notation for 3,4-bis[2-[4-[2-(4-ethyl-1-methylpyrrolidin-3-yl)ethyl]-1-methylpyrrolidin-3-yl]ethyl]-1-methylpyrrolidine?
The canonical SMILES for 3,4-bis[2-[4-[2-(4-ethyl-1-methylpyrrolidin-3-yl)ethyl]-1-methylpyrrolidin-3-yl]ethyl]-1-methylpyrrolidine is CCC1CN(C)CC1CCC1CN(C)CC1CCC1CN(C)CC1CCC1CN(C)CC1CCC1CN(C)CC1CC.
What is the InChIKey of 3,4-bis[2-[4-[2-(4-ethyl-1-methylpyrrolidin-3-yl)ethyl]-1-methylpyrrolidin-3-yl]ethyl]-1-methylpyrrolidine?
The InChIKey is UFZJYWJUAWVWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H71N5/c1-8-28-18-38(3)20-30(28)10-12-32-22-40(5)24-34(32)14-16-36-26-42(7)27-37(36)17-15-35-25-41(6)23-33(35)13-11-31-21-39(4)19-29(31)9-2/h28-37H,8-27H2,1-7H3.
What are the key properties of 3,4-bis[2-[4-[2-(4-ethyl-1-methylpyrrolidin-3-yl)ethyl]-1-methylpyrrolidin-3-yl]ethyl]-1-methylpyrrolidine?
3,4-bis[2-[4-[2-(4-ethyl-1-methylpyrrolidin-3-yl)ethyl]-1-methylpyrrolidin-3-yl]ethyl]-1-methylpyrrolidine has a molecular weight of 586.01 g/mol, XLogP of 5.82, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis[2-[4-[2-(4-ethyl-1-methylpyrrolidin-3-yl)ethyl]-1-methylpyrrolidin-3-yl]ethyl]-1-methylpyrrolidine is sourced from PubChem (CID 90382204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).