N'-(3,5-dichloro-2-pyridinyl)propane-1,3-diamine

C8H11Cl2N3 — CID 14397361

IUPACN'-(3,5-dichloro-2-pyridinyl)propane-1,3-diamine
SMILESNCCCNc1ncc(Cl)cc1Cl
InChIInChI=1S/C8H11Cl2N3/c9-6-4-7(10)8(13-5-6)12-3-1-2-11/h4-5H,1-3,11H2,(H,12,13)
InChIKeyFUDDLIZJYWXWGO-UHFFFAOYSA-N
MW220.10 g/mol
LogP2.15
Rot. Bonds4

About N'-(3,5-dichloro-2-pyridinyl)propane-1,3-diamine

N'-(3,5-dichloro-2-pyridinyl)propane-1,3-diamine (PubChem CID 14397361) has the molecular formula C8H11Cl2N3 and a molecular weight of 220.10 g/mol. Its IUPAC name is N'-(3,5-dichloro-2-pyridinyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(3,5-dichloro-2-pyridinyl)propane-1,3-diamine
PubChem CID14397361
Molecular FormulaC8H11Cl2N3
Molecular Weight220.10 g/mol
Exact Mass219.03
IUPAC NameN'-(3,5-dichloro-2-pyridinyl)propane-1,3-diamine
SMILESNCCCNc1ncc(Cl)cc1Cl
InChIInChI=1S/C8H11Cl2N3/c9-6-4-7(10)8(13-5-6)12-3-1-2-11/h4-5H,1-3,11H2,(H,12,13)
InChIKeyFUDDLIZJYWXWGO-UHFFFAOYSA-N
XLogP2.15
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.10
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-(3,5-dichloro-2-pyridinyl)propane-1,3-diamine with MolForge

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

Launch Full Analysis

Related Compounds

6-[(3,5-dichloro-2-pyridinyl)amino]hexan-1-ol
CID 107849091
N-[2-(2-aminoethoxy)ethyl]-3,5-dichloropyridin-2-amine
CID 63766858
3,5-dichloro-N-propylpyridin-2-amine
CID 30058037
3,5-dichloro-N-(4-propan-2-yloxybutyl)pyridin-2-amine
CID 114137188
N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]ethanesulfonamide
CID 71969785
N-cycloheptyl-N'-(3,5-dichloro-2-pyridinyl)ethane-1,2-diamine
CID 115306764
N'-(3-bromo-5-chloro-2-pyridinyl)ethane-1,2-diamine
CID 114835533
N'-(5-bromo-3-chloro-2-pyridinyl)ethane-1,2-diamine
CID 103582280
N-[2-(4-aminocyclohexyl)oxyethyl]-3,5-dichloropyridin-2-amine
CID 63869864
1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-propylguanidine
CID 111063524
tert-butyl N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]carbamate
CID 115697235
N'-(3,5-dichloro-2-pyridinyl)-1-phenylpropane-1,3-diamine
CID 80507400

Frequently Asked Questions

What is the IUPAC name of N'-(3,5-dichloro-2-pyridinyl)propane-1,3-diamine?
The IUPAC name of N'-(3,5-dichloro-2-pyridinyl)propane-1,3-diamine (CID 14397361) is N'-(3,5-dichloro-2-pyridinyl)propane-1,3-diamine.
What is the SMILES notation for N'-(3,5-dichloro-2-pyridinyl)propane-1,3-diamine?
The canonical SMILES for N'-(3,5-dichloro-2-pyridinyl)propane-1,3-diamine is NCCCNc1ncc(Cl)cc1Cl.
What is the InChIKey of N'-(3,5-dichloro-2-pyridinyl)propane-1,3-diamine?
The InChIKey is FUDDLIZJYWXWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11Cl2N3/c9-6-4-7(10)8(13-5-6)12-3-1-2-11/h4-5H,1-3,11H2,(H,12,13).
What are the key properties of N'-(3,5-dichloro-2-pyridinyl)propane-1,3-diamine?
N'-(3,5-dichloro-2-pyridinyl)propane-1,3-diamine has a molecular weight of 220.10 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,5-dichloro-2-pyridinyl)propane-1,3-diamine is sourced from PubChem (CID 14397361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).