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

C18H25ClN4 — CID 120837862

IUPAC5-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine;hydrochloride
SMILESCN(c1ccccc1)c1ccc(CN2CCC(CN)C2)cn1.Cl
InChIInChI=1S/C18H24N4.ClH/c1-21(17-5-3-2-4-6-17)18-8-7-16(12-20-18)14-22-10-9-15(11-19)13-22;/h2-8,12,15H,9-11,13-14,19H2,1H3;1H
InChIKeyGCAKPUHMAUMZKB-UHFFFAOYSA-N
MW332.88 g/mol
LogP3.05
Rot. Bonds5

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

5-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine;hydrochloride (PubChem CID 120837862) has the molecular formula C18H25ClN4 and a molecular weight of 332.88 g/mol. Its IUPAC name is 5-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine;hydrochloride.

Molecular Properties

Compound Name5-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine;hydrochloride
PubChem CID120837862
Molecular FormulaC18H25ClN4
Molecular Weight332.88 g/mol
Exact Mass332.18
IUPAC Name5-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine;hydrochloride
SMILESCN(c1ccccc1)c1ccc(CN2CCC(CN)C2)cn1.Cl
InChIInChI=1S/C18H24N4.ClH/c1-21(17-5-3-2-4-6-17)18-8-7-16(12-20-18)14-22-10-9-15(11-19)13-22;/h2-8,12,15H,9-11,13-14,19H2,1H3;1H
InChIKeyGCAKPUHMAUMZKB-UHFFFAOYSA-N
XLogP3.05
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.88
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[3-(aminomethyl)piperidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine
CID 120836846
5-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-N-ethyl-N-methylpyridin-2-amine;hydrochloride
CID 120837821
5-[[3-(1-aminoethyl)pyrrolidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine;hydrochloride
CID 120843448
N-methyl-5-[[4-(methylaminomethyl)piperidin-1-yl]methyl]-N-phenylpyridin-2-amine
CID 120839030
5-[[3-(1-aminoethyl)pyrrolidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine
CID 120843449
5-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-N-methyl-N-propan-2-ylpyridin-2-amine
CID 120837689
5-[[2-(aminomethyl)-4-methoxypiperidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine
CID 120843809
[1-[(5-ethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methanamine
CID 79739861
[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methanamine;hydrochloride
CID 71644926
N-methyl-5-[[(2R)-2-methylpiperazin-1-yl]methyl]-N-phenylpyridin-2-amine;hydrochloride
CID 120839419
[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

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine;hydrochloride?
The IUPAC name of 5-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine;hydrochloride (CID 120837862) is 5-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine;hydrochloride.
What is the SMILES notation for 5-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine;hydrochloride?
The canonical SMILES for 5-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine;hydrochloride is CN(c1ccccc1)c1ccc(CN2CCC(CN)C2)cn1.Cl.
What is the InChIKey of 5-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine;hydrochloride?
The InChIKey is GCAKPUHMAUMZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4.ClH/c1-21(17-5-3-2-4-6-17)18-8-7-16(12-20-18)14-22-10-9-15(11-19)13-22;/h2-8,12,15H,9-11,13-14,19H2,1H3;1H.
What are the key properties of 5-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine;hydrochloride?
5-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine;hydrochloride has a molecular weight of 332.88 g/mol, XLogP of 3.05, 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-methyl-N-phenylpyridin-2-amine;hydrochloride is sourced from PubChem (CID 120837862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).