[1-[(5-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]methanamine

C12H19N3 — CID 103840862

IUPAC[1-[(5-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]methanamine
SMILESCc1cncc(CN2CCC(CN)C2)c1
InChIInChI=1S/C12H19N3/c1-10-4-12(7-14-6-10)9-15-3-2-11(5-13)8-15/h4,6-7,11H,2-3,5,8-9,13H2,1H3
InChIKeyIOJDICGHYJSJKG-UHFFFAOYSA-N
MW205.31 g/mol
LogP1.17
Rot. Bonds3

About [1-[(5-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]methanamine

[1-[(5-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]methanamine (PubChem CID 103840862) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is [1-[(5-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[(5-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]methanamine
PubChem CID103840862
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name[1-[(5-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]methanamine
SMILESCc1cncc(CN2CCC(CN)C2)c1
InChIInChI=1S/C12H19N3/c1-10-4-12(7-14-6-10)9-15-3-2-11(5-13)8-15/h4,6-7,11H,2-3,5,8-9,13H2,1H3
InChIKeyIOJDICGHYJSJKG-UHFFFAOYSA-N
XLogP1.17
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[3-(2-bromoethyl)pyrrolidin-1-yl]methyl]-5-methylpyridine
CID 102879078
[1-[(5-bromo-3-pyridinyl)methyl]pyrrolidin-3-yl]methanamine
CID 115741359
2-[1-[(5-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]acetic acid
CID 102877523
3-[[3-(chloromethyl)piperidin-1-yl]methyl]-5-methylpyridine
CID 102878825
3-[[3-(2-chloroethyl)piperidin-1-yl]methyl]-5-methylpyridine
CID 102878847
3-(chloromethyl)-1-[(3,5-dimethylphenyl)methyl]pyrrolidine
CID 63388705
[1-[(3,5-dichloro-4-pyridinyl)methyl]pyrrolidin-3-yl]methanamine;dihydrochloride
CID 154906521
[1-[(4-trimethylsilylphenyl)methyl]pyrrolidin-3-yl]methanamine
CID 103438151
[1-[(2-methoxy-4-pyridinyl)methyl]pyrrolidin-3-yl]methanamine
CID 62994364
[1-[(3,4,5-trifluorophenyl)methyl]pyrrolidin-3-yl]methanamine
CID 55146596
ethane;1-methyl-4-[(5-methyl-3-pyridinyl)methyl]piperazine
CID 143962339
3-[3-(4-ethylpiperidin-1-yl)propyl]-5-methylpyridine
CID 143913543

Frequently Asked Questions

What is the IUPAC name of [1-[(5-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-[(5-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]methanamine (CID 103840862) is [1-[(5-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-[(5-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-[(5-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]methanamine is Cc1cncc(CN2CCC(CN)C2)c1.
What is the InChIKey of [1-[(5-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]methanamine?
The InChIKey is IOJDICGHYJSJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-10-4-12(7-14-6-10)9-15-3-2-11(5-13)8-15/h4,6-7,11H,2-3,5,8-9,13H2,1H3.
What are the key properties of [1-[(5-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]methanamine?
[1-[(5-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]methanamine has a molecular weight of 205.31 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 103840862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).