1-pyridin-4-ylpyrrolidin-3-amine;dihydrochloride

C9H15Cl2N3 — CID 91623879

IUPAC1-pyridin-4-ylpyrrolidin-3-amine;dihydrochloride
SMILESCl.Cl.NC1CCN(c2ccncc2)C1
InChIInChI=1S/C9H13N3.2ClH/c10-8-3-6-12(7-8)9-1-4-11-5-2-9;;/h1-2,4-5,8H,3,6-7,10H2;2*1H
InChIKeyZHTKTRNJTPQLQD-UHFFFAOYSA-N
MW236.15 g/mol
LogP1.46
Rot. Bonds1

About 1-pyridin-4-ylpyrrolidin-3-amine;dihydrochloride

1-pyridin-4-ylpyrrolidin-3-amine;dihydrochloride (PubChem CID 91623879) has the molecular formula C9H15Cl2N3 and a molecular weight of 236.15 g/mol. Its IUPAC name is 1-pyridin-4-ylpyrrolidin-3-amine;dihydrochloride.

Molecular Properties

Compound Name1-pyridin-4-ylpyrrolidin-3-amine;dihydrochloride
PubChem CID91623879
Molecular FormulaC9H15Cl2N3
Molecular Weight236.15 g/mol
Exact Mass235.06
IUPAC Name1-pyridin-4-ylpyrrolidin-3-amine;dihydrochloride
SMILESCl.Cl.NC1CCN(c2ccncc2)C1
InChIInChI=1S/C9H13N3.2ClH/c10-8-3-6-12(7-8)9-1-4-11-5-2-9;;/h1-2,4-5,8H,3,6-7,10H2;2*1H
InChIKeyZHTKTRNJTPQLQD-UHFFFAOYSA-N
XLogP1.46
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.15
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-pyridin-4-ylpyrrolidin-3-amine;dihydrochloride?
The IUPAC name of 1-pyridin-4-ylpyrrolidin-3-amine;dihydrochloride (CID 91623879) is 1-pyridin-4-ylpyrrolidin-3-amine;dihydrochloride.
What is the SMILES notation for 1-pyridin-4-ylpyrrolidin-3-amine;dihydrochloride?
The canonical SMILES for 1-pyridin-4-ylpyrrolidin-3-amine;dihydrochloride is Cl.Cl.NC1CCN(c2ccncc2)C1.
What is the InChIKey of 1-pyridin-4-ylpyrrolidin-3-amine;dihydrochloride?
The InChIKey is ZHTKTRNJTPQLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3.2ClH/c10-8-3-6-12(7-8)9-1-4-11-5-2-9;;/h1-2,4-5,8H,3,6-7,10H2;2*1H.
What are the key properties of 1-pyridin-4-ylpyrrolidin-3-amine;dihydrochloride?
1-pyridin-4-ylpyrrolidin-3-amine;dihydrochloride has a molecular weight of 236.15 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-4-ylpyrrolidin-3-amine;dihydrochloride is sourced from PubChem (CID 91623879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).