1-[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]ethanamine

C12H19N3 — CID 112630112

IUPAC1-[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]ethanamine
SMILESCC(N)C1CCN(Cc2ccccn2)C1
InChIInChI=1S/C12H19N3/c1-10(13)11-5-7-15(8-11)9-12-4-2-3-6-14-12/h2-4,6,10-11H,5,7-9,13H2,1H3
InChIKeyWIRHZSCSJUMNCP-UHFFFAOYSA-N
MW205.31 g/mol
LogP1.25
Rot. Bonds3

About 1-[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]ethanamine

1-[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]ethanamine (PubChem CID 112630112) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is 1-[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]ethanamine
PubChem CID112630112
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name1-[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]ethanamine
SMILESCC(N)C1CCN(Cc2ccccn2)C1
InChIInChI=1S/C12H19N3/c1-10(13)11-5-7-15(8-11)9-12-4-2-3-6-14-12/h2-4,6,10-11H,5,7-9,13H2,1H3
InChIKeyWIRHZSCSJUMNCP-UHFFFAOYSA-N
XLogP1.25
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 ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethanamine;dihydrochloride
CID 71741811
1-[1-[(2-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]ethanamine
CID 103976273
CID 59694740
CID 59694740
[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methanamine;hydrochloride
CID 71644926
2-[(3-bromo-4-methylpiperidin-1-yl)methyl]pyridine
CID 102960286
N-propyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-amine
CID 60860967
(3S)-1-(pyridin-2-ylmethyl)piperidin-3-amine
CID 39221497
phenyl-[1-(pyridin-2-ylmethyl)piperidin-4-yl]methanol
CID 110906747
1-[1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]ethanamine
CID 115969326
1-(pyridin-2-ylmethyl)pyrrolidine-3-carbaldehyde
CID 102548691
2-[(4-bromopiperidin-1-yl)methyl]pyridine
CID 80680400
1-[1-[[2-(methoxymethyl)phenyl]methyl]pyrrolidin-3-yl]ethanamine
CID 103975618

Frequently Asked Questions

What is the IUPAC name of 1-[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]ethanamine?
The IUPAC name of 1-[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]ethanamine (CID 112630112) is 1-[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]ethanamine.
What is the SMILES notation for 1-[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]ethanamine?
The canonical SMILES for 1-[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]ethanamine is CC(N)C1CCN(Cc2ccccn2)C1.
What is the InChIKey of 1-[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]ethanamine?
The InChIKey is WIRHZSCSJUMNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-10(13)11-5-7-15(8-11)9-12-4-2-3-6-14-12/h2-4,6,10-11H,5,7-9,13H2,1H3.
What are the key properties of 1-[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]ethanamine?
1-[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]ethanamine has a molecular weight of 205.31 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]ethanamine is sourced from PubChem (CID 112630112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).