5-[[3-(1-aminoethyl)pyrrolidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine

C19H26N4 — CID 120843449

IUPAC5-[[3-(1-aminoethyl)pyrrolidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine
SMILESCC(N)C1CCN(Cc2ccc(N(C)c3ccccc3)nc2)C1
InChIInChI=1S/C19H26N4/c1-15(20)17-10-11-23(14-17)13-16-8-9-19(21-12-16)22(2)18-6-4-3-5-7-18/h3-9,12,15,17H,10-11,13-14,20H2,1-2H3
InChIKeyJZPJTUBTWBCSOC-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.02
Rot. Bonds5

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

5-[[3-(1-aminoethyl)pyrrolidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine (PubChem CID 120843449) has the molecular formula C19H26N4 and a molecular weight of 310.44 g/mol. Its IUPAC name is 5-[[3-(1-aminoethyl)pyrrolidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine.

Molecular Properties

Compound Name5-[[3-(1-aminoethyl)pyrrolidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine
PubChem CID120843449
Molecular FormulaC19H26N4
Molecular Weight310.44 g/mol
Exact Mass310.22
IUPAC Name5-[[3-(1-aminoethyl)pyrrolidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine
SMILESCC(N)C1CCN(Cc2ccc(N(C)c3ccccc3)nc2)C1
InChIInChI=1S/C19H26N4/c1-15(20)17-10-11-23(14-17)13-16-8-9-19(21-12-16)22(2)18-6-4-3-5-7-18/h3-9,12,15,17H,10-11,13-14,20H2,1-2H3
InChIKeyJZPJTUBTWBCSOC-UHFFFAOYSA-N
XLogP3.02
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[3-(1-aminoethyl)pyrrolidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine;hydrochloride
CID 120843448
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
5-[[3-(aminomethyl)piperidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine
CID 120836846
1-[1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-3-yl]ethanamine
CID 112630186
N-methyl-5-[[4-(methylaminomethyl)piperidin-1-yl]methyl]-N-phenylpyridin-2-amine
CID 120839030
(1S)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethanamine;dihydrochloride
CID 71741811
5-[[4-(1-aminoethyl)piperidin-1-yl]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine
CID 120838198
1-[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]ethanamine
CID 112630112
1-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 83980773
1-[1-(naphthalen-2-ylmethyl)pyrrolidin-3-yl]ethanamine
CID 112630094
5-[[2-(aminomethyl)-4-methoxypiperidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine
CID 120843809

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(1-aminoethyl)pyrrolidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine?
The IUPAC name of 5-[[3-(1-aminoethyl)pyrrolidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine (CID 120843449) is 5-[[3-(1-aminoethyl)pyrrolidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine.
What is the SMILES notation for 5-[[3-(1-aminoethyl)pyrrolidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine?
The canonical SMILES for 5-[[3-(1-aminoethyl)pyrrolidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine is CC(N)C1CCN(Cc2ccc(N(C)c3ccccc3)nc2)C1.
What is the InChIKey of 5-[[3-(1-aminoethyl)pyrrolidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine?
The InChIKey is JZPJTUBTWBCSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4/c1-15(20)17-10-11-23(14-17)13-16-8-9-19(21-12-16)22(2)18-6-4-3-5-7-18/h3-9,12,15,17H,10-11,13-14,20H2,1-2H3.
What are the key properties of 5-[[3-(1-aminoethyl)pyrrolidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine?
5-[[3-(1-aminoethyl)pyrrolidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine has a molecular weight of 310.44 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(1-aminoethyl)pyrrolidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine is sourced from PubChem (CID 120843449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).