5-[[4-(aminomethyl)-2-methylpyrrolidin-1-yl]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine

C16H28N4O — CID 120843047

IUPAC5-[[4-(aminomethyl)-2-methylpyrrolidin-1-yl]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine
SMILESCOCCN(C)c1ccc(CN2CC(CN)CC2C)cn1
InChIInChI=1S/C16H28N4O/c1-13-8-15(9-17)12-20(13)11-14-4-5-16(18-10-14)19(2)6-7-21-3/h4-5,10,13,15H,6-9,11-12,17H2,1-3H3
InChIKeyJUXFMYANNZFUTD-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.33
Rot. Bonds7

About 5-[[4-(aminomethyl)-2-methylpyrrolidin-1-yl]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine

5-[[4-(aminomethyl)-2-methylpyrrolidin-1-yl]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine (PubChem CID 120843047) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 5-[[4-(aminomethyl)-2-methylpyrrolidin-1-yl]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine.

Molecular Properties

Compound Name5-[[4-(aminomethyl)-2-methylpyrrolidin-1-yl]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine
PubChem CID120843047
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name5-[[4-(aminomethyl)-2-methylpyrrolidin-1-yl]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine
SMILESCOCCN(C)c1ccc(CN2CC(CN)CC2C)cn1
InChIInChI=1S/C16H28N4O/c1-13-8-15(9-17)12-20(13)11-14-4-5-16(18-10-14)19(2)6-7-21-3/h4-5,10,13,15H,6-9,11-12,17H2,1-3H3
InChIKeyJUXFMYANNZFUTD-UHFFFAOYSA-N
XLogP1.33
TPSA54.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyethyl)-N-methyl-5-[(2-methylpiperazin-1-yl)methyl]pyridin-2-amine
CID 120837108
(3S,4R)-1-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methyl]-3-methylpiperidin-4-ol
CID 129434601
N-(2-methoxyethyl)-N-methyl-5-[(3-methylpiperazin-1-yl)methyl]pyridin-2-amine
CID 120840257
5-[[4-(1-aminoethyl)piperidin-1-yl]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine
CID 120838198
5-(bromomethyl)-N-(2-methoxyethyl)-N-methylpyridin-2-amine
CID 107081177
5-[[2-(4-ethylphenyl)piperazin-1-yl]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine
CID 120846605
(3R)-4-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methyl]-3-(2-methylpropyl)piperazin-2-one
CID 124846522
5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine
CID 120846541
[1-[[4-(difluoromethoxy)phenyl]methyl]-5-methylpyrrolidin-3-yl]methanamine
CID 115486318
N-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride
CID 120836577
[5-methyl-1-(naphthalen-2-ylmethyl)pyrrolidin-3-yl]methanamine
CID 115486401
5-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-N-ethyl-N-methylpyridin-2-amine;hydrochloride
CID 120837821

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(aminomethyl)-2-methylpyrrolidin-1-yl]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine?
The IUPAC name of 5-[[4-(aminomethyl)-2-methylpyrrolidin-1-yl]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine (CID 120843047) is 5-[[4-(aminomethyl)-2-methylpyrrolidin-1-yl]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine.
What is the SMILES notation for 5-[[4-(aminomethyl)-2-methylpyrrolidin-1-yl]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine?
The canonical SMILES for 5-[[4-(aminomethyl)-2-methylpyrrolidin-1-yl]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine is COCCN(C)c1ccc(CN2CC(CN)CC2C)cn1.
What is the InChIKey of 5-[[4-(aminomethyl)-2-methylpyrrolidin-1-yl]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine?
The InChIKey is JUXFMYANNZFUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-13-8-15(9-17)12-20(13)11-14-4-5-16(18-10-14)19(2)6-7-21-3/h4-5,10,13,15H,6-9,11-12,17H2,1-3H3.
What are the key properties of 5-[[4-(aminomethyl)-2-methylpyrrolidin-1-yl]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine?
5-[[4-(aminomethyl)-2-methylpyrrolidin-1-yl]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine has a molecular weight of 292.43 g/mol, XLogP of 1.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(aminomethyl)-2-methylpyrrolidin-1-yl]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine is sourced from PubChem (CID 120843047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).