(3S)-1-pyridin-2-ylpyrrolidin-3-amine;hydrochloride

C9H14ClN3 — CID 71643959

IUPAC(3S)-1-pyridin-2-ylpyrrolidin-3-amine;hydrochloride
SMILESCl.N[C@H]1CCN(c2ccccn2)C1
InChIInChI=1S/C9H13N3.ClH/c10-8-4-6-12(7-8)9-3-1-2-5-11-9;/h1-3,5,8H,4,6-7,10H2;1H/t8-;/m0./s1
InChIKeyBSJVWLOHGGEFER-QRPNPIFTSA-N
MW199.69 g/mol
LogP1.04
Rot. Bonds1

About (3S)-1-pyridin-2-ylpyrrolidin-3-amine;hydrochloride

(3S)-1-pyridin-2-ylpyrrolidin-3-amine;hydrochloride (PubChem CID 71643959) has the molecular formula C9H14ClN3 and a molecular weight of 199.69 g/mol. Its IUPAC name is (3S)-1-pyridin-2-ylpyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name(3S)-1-pyridin-2-ylpyrrolidin-3-amine;hydrochloride
PubChem CID71643959
Molecular FormulaC9H14ClN3
Molecular Weight199.69 g/mol
Exact Mass199.09
IUPAC Name(3S)-1-pyridin-2-ylpyrrolidin-3-amine;hydrochloride
SMILESCl.N[C@H]1CCN(c2ccccn2)C1
InChIInChI=1S/C9H13N3.ClH/c10-8-4-6-12(7-8)9-3-1-2-5-11-9;/h1-3,5,8H,4,6-7,10H2;1H/t8-;/m0./s1
InChIKeyBSJVWLOHGGEFER-QRPNPIFTSA-N
XLogP1.04
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.69
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-pyrimidin-2-ylpyrrolidin-3-amine;hydrochloride
CID 71644293
(1-pyridin-2-ylpiperidin-4-yl)methanamine;dihydrochloride
CID 140971287
(3R)-1-pyrimidin-2-ylpyrrolidin-3-amine
CID 71643779
3-pyridin-2-yl-3-azabicyclo[4.1.0]heptane
CID 169176717
N-methyl-1-pyridin-2-ylpyrrolidin-3-amine
CID 79002061
(3R)-N-methyl-1-pyridin-2-ylpyrrolidin-3-amine
CID 141191344
(3S)-1-quinoxalin-2-ylpyrrolidin-3-amine;hydrochloride
CID 71643977
(3R)-1-pyrazin-2-ylpyrrolidin-3-amine
CID 56965619
2-(4-bromo-3-methylpiperidin-1-yl)pyridine
CID 114682742
(3R,5S)-1-[4-[(3R,5S)-3,5-diaminopiperidin-1-yl]-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]piperidine-3,5-diamine
CID 58949154
1-[4-(3,5-diaminopiperidin-1-yl)-6-(4-pyridin-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]piperidine-3,5-diamine
CID 21103668
O-(1-pyridin-2-ylpiperidin-4-yl)hydroxylamine
CID 129267399

Frequently Asked Questions

What is the IUPAC name of (3S)-1-pyridin-2-ylpyrrolidin-3-amine;hydrochloride?
The IUPAC name of (3S)-1-pyridin-2-ylpyrrolidin-3-amine;hydrochloride (CID 71643959) is (3S)-1-pyridin-2-ylpyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for (3S)-1-pyridin-2-ylpyrrolidin-3-amine;hydrochloride?
The canonical SMILES for (3S)-1-pyridin-2-ylpyrrolidin-3-amine;hydrochloride is Cl.N[C@H]1CCN(c2ccccn2)C1.
What is the InChIKey of (3S)-1-pyridin-2-ylpyrrolidin-3-amine;hydrochloride?
The InChIKey is BSJVWLOHGGEFER-QRPNPIFTSA-N. The full InChI is InChI=1S/C9H13N3.ClH/c10-8-4-6-12(7-8)9-3-1-2-5-11-9;/h1-3,5,8H,4,6-7,10H2;1H/t8-;/m0./s1.
What are the key properties of (3S)-1-pyridin-2-ylpyrrolidin-3-amine;hydrochloride?
(3S)-1-pyridin-2-ylpyrrolidin-3-amine;hydrochloride has a molecular weight of 199.69 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-pyridin-2-ylpyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 71643959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).