1-[3-(diethylamino)propyl]-N-(6-piperidin-1-ylhexyl)indazol-3-amine

C25H43N5 — CID 3021350

IUPAC1-[3-(diethylamino)propyl]-N-(6-piperidin-1-ylhexyl)indazol-3-amine
SMILESCCN(CC)CCCn1nc(NCCCCCCN2CCCCC2)c2ccccc21
InChIInChI=1S/C25H43N5/c1-3-28(4-2)21-14-22-30-24-16-9-8-15-23(24)25(27-30)26-17-10-5-6-11-18-29-19-12-7-13-20-29/h8-9,15-16H,3-7,10-14,17-22H2,1-2H3,(H,26,27)
InChIKeyAOGWULSRTLQSJU-UHFFFAOYSA-N
MW413.65 g/mol
LogP5.23
Rot. Bonds14

About 1-[3-(diethylamino)propyl]-N-(6-piperidin-1-ylhexyl)indazol-3-amine

1-[3-(diethylamino)propyl]-N-(6-piperidin-1-ylhexyl)indazol-3-amine (PubChem CID 3021350) has the molecular formula C25H43N5 and a molecular weight of 413.65 g/mol. Its IUPAC name is 1-[3-(diethylamino)propyl]-N-(6-piperidin-1-ylhexyl)indazol-3-amine.

Molecular Properties

Compound Name1-[3-(diethylamino)propyl]-N-(6-piperidin-1-ylhexyl)indazol-3-amine
PubChem CID3021350
Molecular FormulaC25H43N5
Molecular Weight413.65 g/mol
Exact Mass413.35
IUPAC Name1-[3-(diethylamino)propyl]-N-(6-piperidin-1-ylhexyl)indazol-3-amine
SMILESCCN(CC)CCCn1nc(NCCCCCCN2CCCCC2)c2ccccc21
InChIInChI=1S/C25H43N5/c1-3-28(4-2)21-14-22-30-24-16-9-8-15-23(24)25(27-30)26-17-10-5-6-11-18-29-19-12-7-13-20-29/h8-9,15-16H,3-7,10-14,17-22H2,1-2H3,(H,26,27)
InChIKeyAOGWULSRTLQSJU-UHFFFAOYSA-N
XLogP5.23
TPSA36.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.65
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 1-[3-(diethylamino)propyl]-N-(6-piperidin-1-ylhexyl)indazol-3-amine?
The IUPAC name of 1-[3-(diethylamino)propyl]-N-(6-piperidin-1-ylhexyl)indazol-3-amine (CID 3021350) is 1-[3-(diethylamino)propyl]-N-(6-piperidin-1-ylhexyl)indazol-3-amine.
What is the SMILES notation for 1-[3-(diethylamino)propyl]-N-(6-piperidin-1-ylhexyl)indazol-3-amine?
The canonical SMILES for 1-[3-(diethylamino)propyl]-N-(6-piperidin-1-ylhexyl)indazol-3-amine is CCN(CC)CCCn1nc(NCCCCCCN2CCCCC2)c2ccccc21.
What is the InChIKey of 1-[3-(diethylamino)propyl]-N-(6-piperidin-1-ylhexyl)indazol-3-amine?
The InChIKey is AOGWULSRTLQSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H43N5/c1-3-28(4-2)21-14-22-30-24-16-9-8-15-23(24)25(27-30)26-17-10-5-6-11-18-29-19-12-7-13-20-29/h8-9,15-16H,3-7,10-14,17-22H2,1-2H3,(H,26,27).
What are the key properties of 1-[3-(diethylamino)propyl]-N-(6-piperidin-1-ylhexyl)indazol-3-amine?
1-[3-(diethylamino)propyl]-N-(6-piperidin-1-ylhexyl)indazol-3-amine has a molecular weight of 413.65 g/mol, XLogP of 5.23, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(diethylamino)propyl]-N-(6-piperidin-1-ylhexyl)indazol-3-amine is sourced from PubChem (CID 3021350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).