N-ethyl-N-[[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-yl]methyl]ethanamine

C15H31N3 — CID 120901182

IUPACN-ethyl-N-[[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-yl]methyl]ethanamine
SMILESCCN(CC)CC1CCN(CC2(C)CCNC2)C1
InChIInChI=1S/C15H31N3/c1-4-17(5-2)10-14-6-9-18(11-14)13-15(3)7-8-16-12-15/h14,16H,4-13H2,1-3H3
InChIKeyMUUXOOWFJYWTBR-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.65
Rot. Bonds6

About N-ethyl-N-[[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-yl]methyl]ethanamine

N-ethyl-N-[[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-yl]methyl]ethanamine (PubChem CID 120901182) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is N-ethyl-N-[[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-[[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-yl]methyl]ethanamine
PubChem CID120901182
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC NameN-ethyl-N-[[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-yl]methyl]ethanamine
SMILESCCN(CC)CC1CCN(CC2(C)CCNC2)C1
InChIInChI=1S/C15H31N3/c1-4-17(5-2)10-14-6-9-18(11-14)13-15(3)7-8-16-12-15/h14,16H,4-13H2,1-3H3
InChIKeyMUUXOOWFJYWTBR-UHFFFAOYSA-N
XLogP1.65
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-amine
CID 63536783
[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 131086147
3-(methoxymethyl)-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine
CID 64596729
3-(ethoxymethyl)-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine
CID 120901494
1-[(3-methylpyrrolidin-3-yl)methyl]-3-methylsulfanylpyrrolidine
CID 130979190
[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]methanol;hydrochloride
CID 120897177
3-(ethoxymethyl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine
CID 120900572
3-[(4-methylpiperidin-1-yl)methyl]-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine
CID 120899331
2,6-dimethyl-4-[[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]methyl]morpholine
CID 120899327
N-ethyl-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine-3-sulfonamide;hydrochloride
CID 120902113
N-ethyl-N-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]methanesulfonamide;hydrochloride
CID 120903287
ethyl 2-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]acetate
CID 120898616

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-yl]methyl]ethanamine?
The IUPAC name of N-ethyl-N-[[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-yl]methyl]ethanamine (CID 120901182) is N-ethyl-N-[[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-yl]methyl]ethanamine.
What is the SMILES notation for N-ethyl-N-[[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-yl]methyl]ethanamine?
The canonical SMILES for N-ethyl-N-[[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-yl]methyl]ethanamine is CCN(CC)CC1CCN(CC2(C)CCNC2)C1.
What is the InChIKey of N-ethyl-N-[[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-yl]methyl]ethanamine?
The InChIKey is MUUXOOWFJYWTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-4-17(5-2)10-14-6-9-18(11-14)13-15(3)7-8-16-12-15/h14,16H,4-13H2,1-3H3.
What are the key properties of N-ethyl-N-[[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-yl]methyl]ethanamine?
N-ethyl-N-[[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-yl]methyl]ethanamine has a molecular weight of 253.43 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidin-3-yl]methyl]ethanamine is sourced from PubChem (CID 120901182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).