5-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-N-ethyl-N-methylpyridin-2-amine;hydrochloride

C14H25ClN4 — CID 120837821

IUPAC5-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-N-ethyl-N-methylpyridin-2-amine;hydrochloride
SMILESCCN(C)c1ccc(CN2CCC(CN)C2)cn1.Cl
InChIInChI=1S/C14H24N4.ClH/c1-3-17(2)14-5-4-13(9-16-14)11-18-7-6-12(8-15)10-18;/h4-5,9,12H,3,6-8,10-11,15H2,1-2H3;1H
InChIKeyMRTOPQMBQADUSN-UHFFFAOYSA-N
MW284.83 g/mol
LogP1.74
Rot. Bonds5

About 5-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-N-ethyl-N-methylpyridin-2-amine;hydrochloride

5-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-N-ethyl-N-methylpyridin-2-amine;hydrochloride (PubChem CID 120837821) has the molecular formula C14H25ClN4 and a molecular weight of 284.83 g/mol. Its IUPAC name is 5-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-N-ethyl-N-methylpyridin-2-amine;hydrochloride.

Molecular Properties

Compound Name5-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-N-ethyl-N-methylpyridin-2-amine;hydrochloride
PubChem CID120837821
Molecular FormulaC14H25ClN4
Molecular Weight284.83 g/mol
Exact Mass284.18
IUPAC Name5-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-N-ethyl-N-methylpyridin-2-amine;hydrochloride
SMILESCCN(C)c1ccc(CN2CCC(CN)C2)cn1.Cl
InChIInChI=1S/C14H24N4.ClH/c1-3-17(2)14-5-4-13(9-16-14)11-18-7-6-12(8-15)10-18;/h4-5,9,12H,3,6-8,10-11,15H2,1-2H3;1H
InChIKeyMRTOPQMBQADUSN-UHFFFAOYSA-N
XLogP1.74
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.83
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-N-methyl-N-propan-2-ylpyridin-2-amine
CID 120837689
5-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine;hydrochloride
CID 120837862
5-[[3-(1-aminoethyl)piperidin-1-yl]methyl]-N-ethyl-N-methylpyridin-2-amine;hydrochloride
CID 120841116
[1-[(5-ethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methanamine
CID 79739861
5-[[3-(aminomethyl)piperidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine
CID 120836846
5-[[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]methyl]-N-ethyl-N-methylpyridin-2-amine;hydrochloride
CID 120846718
5-[(3,5-dimethylpiperazin-1-yl)methyl]-N-ethyl-N-methylpyridin-2-amine
CID 120840096
2-[[6-[ethyl(methyl)amino]-3-pyridinyl]methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine
CID 120844114
[1-[(4-trimethylsilylphenyl)methyl]pyrrolidin-3-yl]methanamine
CID 103438151
5-[[3-(2-aminoethyl)piperidin-1-yl]methyl]-N-methyl-N-propan-2-ylpyridin-2-amine;hydrochloride
CID 120846227
5-[(4-aminopiperidin-1-yl)methyl]-N-methyl-N-propan-2-ylpyridin-2-amine;hydrochloride
CID 120834439
[1-[[6-[ethyl(methyl)amino]-3-pyridinyl]methyl]piperidin-3-yl]-piperazin-1-ylmethanone
CID 120836162

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-N-ethyl-N-methylpyridin-2-amine;hydrochloride?
The IUPAC name of 5-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-N-ethyl-N-methylpyridin-2-amine;hydrochloride (CID 120837821) is 5-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-N-ethyl-N-methylpyridin-2-amine;hydrochloride.
What is the SMILES notation for 5-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-N-ethyl-N-methylpyridin-2-amine;hydrochloride?
The canonical SMILES for 5-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-N-ethyl-N-methylpyridin-2-amine;hydrochloride is CCN(C)c1ccc(CN2CCC(CN)C2)cn1.Cl.
What is the InChIKey of 5-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-N-ethyl-N-methylpyridin-2-amine;hydrochloride?
The InChIKey is MRTOPQMBQADUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4.ClH/c1-3-17(2)14-5-4-13(9-16-14)11-18-7-6-12(8-15)10-18;/h4-5,9,12H,3,6-8,10-11,15H2,1-2H3;1H.
What are the key properties of 5-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-N-ethyl-N-methylpyridin-2-amine;hydrochloride?
5-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-N-ethyl-N-methylpyridin-2-amine;hydrochloride has a molecular weight of 284.83 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-N-ethyl-N-methylpyridin-2-amine;hydrochloride is sourced from PubChem (CID 120837821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).