5-chloro-2-N-(3-cyclopentylpropyl)pyridine-2,3-diamine

C13H20ClN3 — CID 106007206

IUPAC5-chloro-2-N-(3-cyclopentylpropyl)pyridine-2,3-diamine
SMILESNc1cc(Cl)cnc1NCCCC1CCCC1
InChIInChI=1S/C13H20ClN3/c14-11-8-12(15)13(17-9-11)16-7-3-6-10-4-1-2-5-10/h8-10H,1-7,15H2,(H,16,17)
InChIKeyOWWSBGUQIRWTCW-UHFFFAOYSA-N
MW253.78 g/mol
LogP3.70
Rot. Bonds5

About 5-chloro-2-N-(3-cyclopentylpropyl)pyridine-2,3-diamine

5-chloro-2-N-(3-cyclopentylpropyl)pyridine-2,3-diamine (PubChem CID 106007206) has the molecular formula C13H20ClN3 and a molecular weight of 253.78 g/mol. Its IUPAC name is 5-chloro-2-N-(3-cyclopentylpropyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name5-chloro-2-N-(3-cyclopentylpropyl)pyridine-2,3-diamine
PubChem CID106007206
Molecular FormulaC13H20ClN3
Molecular Weight253.78 g/mol
Exact Mass253.13
IUPAC Name5-chloro-2-N-(3-cyclopentylpropyl)pyridine-2,3-diamine
SMILESNc1cc(Cl)cnc1NCCCC1CCCC1
InChIInChI=1S/C13H20ClN3/c14-11-8-12(15)13(17-9-11)16-7-3-6-10-4-1-2-5-10/h8-10H,1-7,15H2,(H,16,17)
InChIKeyOWWSBGUQIRWTCW-UHFFFAOYSA-N
XLogP3.70
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.78
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(3-amino-5-chloro-2-pyridinyl)amino]butan-1-ol
CID 106840375
3-chloro-N-(3-cyclopentylpropyl)-5-(trifluoromethyl)pyridin-2-amine
CID 106012866
5-chloro-2-N-cyclopentylpyridine-2,3-diamine
CID 58171612
5-chloro-4-N-(3-cyclopentylpropyl)pyrimidine-4,6-diamine
CID 106811786
5-chloro-2-N-(3-methoxypropyl)pyridine-2,3-diamine
CID 79021479
5-chloro-2-N-(3-propoxypropyl)pyridine-2,3-diamine
CID 82942310
5-chloro-2-N-(2-methoxyethyl)pyridine-2,3-diamine
CID 79021487
5-bromo-4-N-(3-cyclopentylpropyl)pyrimidine-4,6-diamine
CID 106014958
5-chloro-1-N-(3-cyclopentylpropyl)-6-fluorobenzene-1,2,4-triamine
CID 106007183
5-chloro-N-(2-cyclopentylethyl)pyrimidin-2-amine
CID 79555365
6-bromo-4-N-(3-cyclopentylpropyl)quinoline-3,4-diamine
CID 106007171
6-N-(3-cyclopentylpropyl)-7H-purine-2,6-diamine
CID 104623232

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-N-(3-cyclopentylpropyl)pyridine-2,3-diamine?
The IUPAC name of 5-chloro-2-N-(3-cyclopentylpropyl)pyridine-2,3-diamine (CID 106007206) is 5-chloro-2-N-(3-cyclopentylpropyl)pyridine-2,3-diamine.
What is the SMILES notation for 5-chloro-2-N-(3-cyclopentylpropyl)pyridine-2,3-diamine?
The canonical SMILES for 5-chloro-2-N-(3-cyclopentylpropyl)pyridine-2,3-diamine is Nc1cc(Cl)cnc1NCCCC1CCCC1.
What is the InChIKey of 5-chloro-2-N-(3-cyclopentylpropyl)pyridine-2,3-diamine?
The InChIKey is OWWSBGUQIRWTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3/c14-11-8-12(15)13(17-9-11)16-7-3-6-10-4-1-2-5-10/h8-10H,1-7,15H2,(H,16,17).
What are the key properties of 5-chloro-2-N-(3-cyclopentylpropyl)pyridine-2,3-diamine?
5-chloro-2-N-(3-cyclopentylpropyl)pyridine-2,3-diamine has a molecular weight of 253.78 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-N-(3-cyclopentylpropyl)pyridine-2,3-diamine is sourced from PubChem (CID 106007206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).