[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methanamine;hydrochloride

C11H18ClN3 — CID 71644926

IUPAC[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methanamine;hydrochloride
SMILESCl.NCC1CCN(Cc2ccccn2)C1
InChIInChI=1S/C11H17N3.ClH/c12-7-10-4-6-14(8-10)9-11-3-1-2-5-13-11;/h1-3,5,10H,4,6-9,12H2;1H
InChIKeyDQQLRJAZUWAUDR-UHFFFAOYSA-N
MW227.74 g/mol
LogP1.28
Rot. Bonds3

About [1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methanamine;hydrochloride

[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methanamine;hydrochloride (PubChem CID 71644926) has the molecular formula C11H18ClN3 and a molecular weight of 227.74 g/mol. Its IUPAC name is [1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methanamine;hydrochloride
PubChem CID71644926
Molecular FormulaC11H18ClN3
Molecular Weight227.74 g/mol
Exact Mass227.12
IUPAC Name[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methanamine;hydrochloride
SMILESCl.NCC1CCN(Cc2ccccn2)C1
InChIInChI=1S/C11H17N3.ClH/c12-7-10-4-6-14(8-10)9-11-3-1-2-5-13-11;/h1-3,5,10H,4,6-9,12H2;1H
InChIKeyDQQLRJAZUWAUDR-UHFFFAOYSA-N
XLogP1.28
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.74
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]piperidin-4-amine
CID 80552735
(3S)-1-(pyridin-2-ylmethyl)piperidin-3-amine
CID 39221497
[1-(pyridin-2-ylmethyl)piperidin-3-yl]methanol;hydrochloride
CID 167311617
CID 59694740
CID 59694740
2-[[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]pyridine
CID 95844895
[3-(aminomethyl)pyrrolidin-1-yl]-[4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone;dihydrochloride
CID 154900317
1-[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]ethanamine
CID 112630112
[1-[(2-phenyltriazol-4-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 119917977
1-(pyridin-2-ylmethyl)pyrrolidine-3-carbaldehyde
CID 102548691
2-[(4-bromopiperidin-1-yl)methyl]pyridine
CID 80680400
[1-[(5-ethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methanamine
CID 79739861
2-[(3-bromo-4-methylpiperidin-1-yl)methyl]pyridine
CID 102960286

Frequently Asked Questions

What is the IUPAC name of [1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methanamine;hydrochloride?
The IUPAC name of [1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methanamine;hydrochloride (CID 71644926) is [1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methanamine;hydrochloride?
The canonical SMILES for [1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methanamine;hydrochloride is Cl.NCC1CCN(Cc2ccccn2)C1.
What is the InChIKey of [1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methanamine;hydrochloride?
The InChIKey is DQQLRJAZUWAUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3.ClH/c12-7-10-4-6-14(8-10)9-11-3-1-2-5-13-11;/h1-3,5,10H,4,6-9,12H2;1H.
What are the key properties of [1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methanamine;hydrochloride?
[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methanamine;hydrochloride has a molecular weight of 227.74 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methanamine;hydrochloride is sourced from PubChem (CID 71644926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).