5-chloro-3-[3-(ethylamino)propyl]pyridin-2-amine

C10H16ClN3 — CID 64503968

IUPAC5-chloro-3-[3-(ethylamino)propyl]pyridin-2-amine
SMILESCCNCCCc1cc(Cl)cnc1N
InChIInChI=1S/C10H16ClN3/c1-2-13-5-3-4-8-6-9(11)7-14-10(8)12/h6-7,13H,2-5H2,1H3,(H2,12,14)
InChIKeyDTHZEERUDFBVHF-UHFFFAOYSA-N
MW213.71 g/mol
LogP1.86
Rot. Bonds5

About 5-chloro-3-[3-(ethylamino)propyl]pyridin-2-amine

5-chloro-3-[3-(ethylamino)propyl]pyridin-2-amine (PubChem CID 64503968) has the molecular formula C10H16ClN3 and a molecular weight of 213.71 g/mol. Its IUPAC name is 5-chloro-3-[3-(ethylamino)propyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-3-[3-(ethylamino)propyl]pyridin-2-amine
PubChem CID64503968
Molecular FormulaC10H16ClN3
Molecular Weight213.71 g/mol
Exact Mass213.10
IUPAC Name5-chloro-3-[3-(ethylamino)propyl]pyridin-2-amine
SMILESCCNCCCc1cc(Cl)cnc1N
InChIInChI=1S/C10H16ClN3/c1-2-13-5-3-4-8-6-9(11)7-14-10(8)12/h6-7,13H,2-5H2,1H3,(H2,12,14)
InChIKeyDTHZEERUDFBVHF-UHFFFAOYSA-N
XLogP1.86
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 51.86
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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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[3-(ethylamino)propyl]pyridin-2-amine?
The IUPAC name of 5-chloro-3-[3-(ethylamino)propyl]pyridin-2-amine (CID 64503968) is 5-chloro-3-[3-(ethylamino)propyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-3-[3-(ethylamino)propyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-3-[3-(ethylamino)propyl]pyridin-2-amine is CCNCCCc1cc(Cl)cnc1N.
What is the InChIKey of 5-chloro-3-[3-(ethylamino)propyl]pyridin-2-amine?
The InChIKey is DTHZEERUDFBVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3/c1-2-13-5-3-4-8-6-9(11)7-14-10(8)12/h6-7,13H,2-5H2,1H3,(H2,12,14).
What are the key properties of 5-chloro-3-[3-(ethylamino)propyl]pyridin-2-amine?
5-chloro-3-[3-(ethylamino)propyl]pyridin-2-amine has a molecular weight of 213.71 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[3-(ethylamino)propyl]pyridin-2-amine is sourced from PubChem (CID 64503968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).