[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

Nicotine
CID 89594
Nornicotine
CID 91462
3-(1-Methylpyrrolidin-2-yl)pyridine
CID 942
3-(Pyrrolidin-2-yl)pyridine
CID 412
3-Pyridinemethanamine
CID 31018
Rivanicline
CID 5310967
(-)-Anatabine
CID 11388
4-Pyridinemethanamine
CID 77317
(R)-Nicotine
CID 157672
3,5-Dimethylpyridine
CID 11565
Nicotine hydrochloride
CID 5284430
4-(2-Pyrrolidinoethyl)pyridine
CID 238432

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).