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

C14H23N3 — CID 177158499

IUPAC5-ethyl-N-(3-pyrrolidin-1-ylpropyl)pyridin-2-amine
SMILESCCc1ccc(NCCCN2CCCC2)nc1
InChIInChI=1S/C14H23N3/c1-2-13-6-7-14(16-12-13)15-8-5-11-17-9-3-4-10-17/h6-7,12H,2-5,8-11H2,1H3,(H,15,16)
InChIKeyPWSXNJJFEMHEDV-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.54
Rot. Bonds6

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

5-ethyl-N-(3-pyrrolidin-1-ylpropyl)pyridin-2-amine (PubChem CID 177158499) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 5-ethyl-N-(3-pyrrolidin-1-ylpropyl)pyridin-2-amine.

Molecular Properties

Compound Name5-ethyl-N-(3-pyrrolidin-1-ylpropyl)pyridin-2-amine
PubChem CID177158499
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name5-ethyl-N-(3-pyrrolidin-1-ylpropyl)pyridin-2-amine
SMILESCCc1ccc(NCCCN2CCCC2)nc1
InChIInChI=1S/C14H23N3/c1-2-13-6-7-14(16-12-13)15-8-5-11-17-9-3-4-10-17/h6-7,12H,2-5,8-11H2,1H3,(H,15,16)
InChIKeyPWSXNJJFEMHEDV-UHFFFAOYSA-N
XLogP2.54
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-ethyl-N-(3-pyrrolidin-1-ylpropyl)pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(3-pyrrolidin-1-ylpropyl)pyridin-2-amine?
The IUPAC name of 5-ethyl-N-(3-pyrrolidin-1-ylpropyl)pyridin-2-amine (CID 177158499) is 5-ethyl-N-(3-pyrrolidin-1-ylpropyl)pyridin-2-amine.
What is the SMILES notation for 5-ethyl-N-(3-pyrrolidin-1-ylpropyl)pyridin-2-amine?
The canonical SMILES for 5-ethyl-N-(3-pyrrolidin-1-ylpropyl)pyridin-2-amine is CCc1ccc(NCCCN2CCCC2)nc1.
What is the InChIKey of 5-ethyl-N-(3-pyrrolidin-1-ylpropyl)pyridin-2-amine?
The InChIKey is PWSXNJJFEMHEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-2-13-6-7-14(16-12-13)15-8-5-11-17-9-3-4-10-17/h6-7,12H,2-5,8-11H2,1H3,(H,15,16).
What are the key properties of 5-ethyl-N-(3-pyrrolidin-1-ylpropyl)pyridin-2-amine?
5-ethyl-N-(3-pyrrolidin-1-ylpropyl)pyridin-2-amine has a molecular weight of 233.36 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(3-pyrrolidin-1-ylpropyl)pyridin-2-amine is sourced from PubChem (CID 177158499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).