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

C11H16ClN3 — CID 64503512

IUPAC5-chloro-3-[3-(cyclopropylamino)propyl]pyridin-2-amine
SMILESNc1ncc(Cl)cc1CCCNC1CC1
InChIInChI=1S/C11H16ClN3/c12-9-6-8(11(13)15-7-9)2-1-5-14-10-3-4-10/h6-7,10,14H,1-5H2,(H2,13,15)
InChIKeySYXSZGOOQBUUPV-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.00
Rot. Bonds5

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

5-chloro-3-[3-(cyclopropylamino)propyl]pyridin-2-amine (PubChem CID 64503512) has the molecular formula C11H16ClN3 and a molecular weight of 225.72 g/mol. Its IUPAC name is 5-chloro-3-[3-(cyclopropylamino)propyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-3-[3-(cyclopropylamino)propyl]pyridin-2-amine
PubChem CID64503512
Molecular FormulaC11H16ClN3
Molecular Weight225.72 g/mol
Exact Mass225.10
IUPAC Name5-chloro-3-[3-(cyclopropylamino)propyl]pyridin-2-amine
SMILESNc1ncc(Cl)cc1CCCNC1CC1
InChIInChI=1S/C11H16ClN3/c12-9-6-8(11(13)15-7-9)2-1-5-14-10-3-4-10/h6-7,10,14H,1-5H2,(H2,13,15)
InChIKeySYXSZGOOQBUUPV-UHFFFAOYSA-N
XLogP2.00
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.00
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-(cyclopropylamino)propyl]pyridin-2-amine?
The IUPAC name of 5-chloro-3-[3-(cyclopropylamino)propyl]pyridin-2-amine (CID 64503512) is 5-chloro-3-[3-(cyclopropylamino)propyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-3-[3-(cyclopropylamino)propyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-3-[3-(cyclopropylamino)propyl]pyridin-2-amine is Nc1ncc(Cl)cc1CCCNC1CC1.
What is the InChIKey of 5-chloro-3-[3-(cyclopropylamino)propyl]pyridin-2-amine?
The InChIKey is SYXSZGOOQBUUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3/c12-9-6-8(11(13)15-7-9)2-1-5-14-10-3-4-10/h6-7,10,14H,1-5H2,(H2,13,15).
What are the key properties of 5-chloro-3-[3-(cyclopropylamino)propyl]pyridin-2-amine?
5-chloro-3-[3-(cyclopropylamino)propyl]pyridin-2-amine has a molecular weight of 225.72 g/mol, XLogP of 2.00, 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-(cyclopropylamino)propyl]pyridin-2-amine is sourced from PubChem (CID 64503512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).