2,2-diethyl-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine

C14H31N3 — CID 55163623

IUPAC2,2-diethyl-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine
SMILESCCC(CC)(CN)CN(C)CCN1CCCC1
InChIInChI=1S/C14H31N3/c1-4-14(5-2,12-15)13-16(3)10-11-17-8-6-7-9-17/h4-13,15H2,1-3H3
InChIKeyKPITUJLFQBWLEP-UHFFFAOYSA-N
MW241.42 g/mol
LogP1.78
Rot. Bonds8

About 2,2-diethyl-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine

2,2-diethyl-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine (PubChem CID 55163623) has the molecular formula C14H31N3 and a molecular weight of 241.42 g/mol. Its IUPAC name is 2,2-diethyl-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine.

Molecular Properties

Compound Name2,2-diethyl-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine
PubChem CID55163623
Molecular FormulaC14H31N3
Molecular Weight241.42 g/mol
Exact Mass241.25
IUPAC Name2,2-diethyl-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine
SMILESCCC(CC)(CN)CN(C)CCN1CCCC1
InChIInChI=1S/C14H31N3/c1-4-14(5-2,12-15)13-16(3)10-11-17-8-6-7-9-17/h4-13,15H2,1-3H3
InChIKeyKPITUJLFQBWLEP-UHFFFAOYSA-N
XLogP1.78
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,2,2-triethyl-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine
CID 55163819
N-ethyl-N-methyl-2-piperidin-1-ylethanamine
CID 18427099
N-tert-butyl-2-ethyl-N',2-dimethyl-N'-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine
CID 63211386
N',2,2-trimethyl-N'-(2-morpholin-4-ylethyl)propane-1,3-diamine;dihydrochloride
CID 119928928
2,3-dimethyl-1-[methyl(2-pyrrolidin-1-ylethyl)amino]butan-2-ol
CID 114448987
2-N-ethyl-2-methyl-2-N-(2-pyrrolidin-1-ylethyl)butane-1,2-diamine
CID 107911291
N,N,N'-trimethyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 156728125
1-N,3-N,2,2-tetramethyl-1-N-(2-pyrrolidin-1-ylethyl)butane-1,3-diamine
CID 66453884
1-N-methyl-1-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine
CID 63207042
N',2-dimethyl-N'-(2-pyrrolidin-1-ylethyl)butane-1,4-diamine
CID 81080728
1-N,3,3-trimethyl-1-N-(2-pyrrolidin-1-ylethyl)butane-1,2-diamine
CID 63206956
2-methyl-2-N-propyl-2-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine
CID 107911288

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine?
The IUPAC name of 2,2-diethyl-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine (CID 55163623) is 2,2-diethyl-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine.
What is the SMILES notation for 2,2-diethyl-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine?
The canonical SMILES for 2,2-diethyl-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine is CCC(CC)(CN)CN(C)CCN1CCCC1.
What is the InChIKey of 2,2-diethyl-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine?
The InChIKey is KPITUJLFQBWLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3/c1-4-14(5-2,12-15)13-16(3)10-11-17-8-6-7-9-17/h4-13,15H2,1-3H3.
What are the key properties of 2,2-diethyl-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine?
2,2-diethyl-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine has a molecular weight of 241.42 g/mol, XLogP of 1.78, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine is sourced from PubChem (CID 55163623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).