5-chloro-N-(3-pyrrolidin-1-ylpropyl)pyridin-2-amine

C12H18ClN3 — CID 62993016

IUPAC5-chloro-N-(3-pyrrolidin-1-ylpropyl)pyridin-2-amine
SMILESClc1ccc(NCCCN2CCCC2)nc1
InChIInChI=1S/C12H18ClN3/c13-11-4-5-12(15-10-11)14-6-3-9-16-7-1-2-8-16/h4-5,10H,1-3,6-9H2,(H,14,15)
InChIKeyBEFCGAMQGOXVFC-UHFFFAOYSA-N
MW239.75 g/mol
LogP2.63
Rot. Bonds5

About 5-chloro-N-(3-pyrrolidin-1-ylpropyl)pyridin-2-amine

5-chloro-N-(3-pyrrolidin-1-ylpropyl)pyridin-2-amine (PubChem CID 62993016) has the molecular formula C12H18ClN3 and a molecular weight of 239.75 g/mol. Its IUPAC name is 5-chloro-N-(3-pyrrolidin-1-ylpropyl)pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-(3-pyrrolidin-1-ylpropyl)pyridin-2-amine
PubChem CID62993016
Molecular FormulaC12H18ClN3
Molecular Weight239.75 g/mol
Exact Mass239.12
IUPAC Name5-chloro-N-(3-pyrrolidin-1-ylpropyl)pyridin-2-amine
SMILESClc1ccc(NCCCN2CCCC2)nc1
InChIInChI=1S/C12H18ClN3/c13-11-4-5-12(15-10-11)14-6-3-9-16-7-1-2-8-16/h4-5,10H,1-3,6-9H2,(H,14,15)
InChIKeyBEFCGAMQGOXVFC-UHFFFAOYSA-N
XLogP2.63
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-pyrrolidin-1-ylpropyl)pyridin-2-amine?
The IUPAC name of 5-chloro-N-(3-pyrrolidin-1-ylpropyl)pyridin-2-amine (CID 62993016) is 5-chloro-N-(3-pyrrolidin-1-ylpropyl)pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-(3-pyrrolidin-1-ylpropyl)pyridin-2-amine?
The canonical SMILES for 5-chloro-N-(3-pyrrolidin-1-ylpropyl)pyridin-2-amine is Clc1ccc(NCCCN2CCCC2)nc1.
What is the InChIKey of 5-chloro-N-(3-pyrrolidin-1-ylpropyl)pyridin-2-amine?
The InChIKey is BEFCGAMQGOXVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3/c13-11-4-5-12(15-10-11)14-6-3-9-16-7-1-2-8-16/h4-5,10H,1-3,6-9H2,(H,14,15).
What are the key properties of 5-chloro-N-(3-pyrrolidin-1-ylpropyl)pyridin-2-amine?
5-chloro-N-(3-pyrrolidin-1-ylpropyl)pyridin-2-amine has a molecular weight of 239.75 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-pyrrolidin-1-ylpropyl)pyridin-2-amine is sourced from PubChem (CID 62993016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).