3-N-(5-iodo-2-pyridinyl)cyclopentane-1,3-diamine

Name: 3-N-(5-iodo-2-pyridinyl)cyclopentane-1,3-diamine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₀H₁₄IN₃ — CID 171746116

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC3-N-(5-iodo-2-pyridinyl)cyclopentane-1,3-diamine

SMILESNC1CCC(Nc2ccc(I)cn2)C1

InChIInChI=1S/C10H14IN3/c11-7-1-4-10(13-6-7)14-9-3-2-8(12)5-9/h1,4,6,8-9H,2-3,5,12H2,(H,13,14)

InChIKeyBGRPKNKYGLTADM-UHFFFAOYSA-N

MW303.15 g/mol

LogP1.98

Rot. Bonds2

About 3-N-(5-iodo-2-pyridinyl)cyclopentane-1,3-diamine

3-N-(5-iodo-2-pyridinyl)cyclopentane-1,3-diamine (PubChem CID 171746116) has the molecular formula C₁₀H₁₄IN₃ and a molecular weight of 303.15 g/mol. Its IUPAC name is 3-N-(5-iodo-2-pyridinyl)cyclopentane-1,3-diamine.

Molecular Properties

Compound Name	3-N-(5-iodo-2-pyridinyl)cyclopentane-1,3-diamine
PubChem CID	171746116
Molecular Formula	C₁₀H₁₄IN₃
Molecular Weight	303.15 g/mol
Exact Mass	303.02
IUPAC Name	3-N-(5-iodo-2-pyridinyl)cyclopentane-1,3-diamine
SMILES	NC1CCC(Nc2ccc(I)cn2)C1
InChI	InChI=1S/C10H14IN3/c11-7-1-4-10(13-6-7)14-9-3-2-8(12)5-9/h1,4,6,8-9H,2-3,5,12H2,(H,13,14)
InChIKey	BGRPKNKYGLTADM-UHFFFAOYSA-N
XLogP	1.98
TPSA	50.94 Å²
H-Bond Donors	2
H-Bond Acceptors	3
Rotatable Bonds	2
Heavy Atoms	14
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	303.15
LogP ≤ 5	1.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-N-(5-iodo-2-pyridinyl)cyclopentane-1,3-diamine?

The IUPAC name of 3-N-(5-iodo-2-pyridinyl)cyclopentane-1,3-diamine (CID 171746116) is 3-N-(5-iodo-2-pyridinyl)cyclopentane-1,3-diamine.

What is the SMILES notation for 3-N-(5-iodo-2-pyridinyl)cyclopentane-1,3-diamine?

The canonical SMILES for 3-N-(5-iodo-2-pyridinyl)cyclopentane-1,3-diamine is NC1CCC(Nc2ccc(I)cn2)C1.

What is the InChIKey of 3-N-(5-iodo-2-pyridinyl)cyclopentane-1,3-diamine?

The InChIKey is BGRPKNKYGLTADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14IN3/c11-7-1-4-10(13-6-7)14-9-3-2-8(12)5-9/h1,4,6,8-9H,2-3,5,12H2,(H,13,14).

What are the key properties of 3-N-(5-iodo-2-pyridinyl)cyclopentane-1,3-diamine?

3-N-(5-iodo-2-pyridinyl)cyclopentane-1,3-diamine has a molecular weight of 303.15 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-N-(5-iodo-2-pyridinyl)cyclopentane-1,3-diamine is sourced from PubChem (CID 171746116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 171746116 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.