6-indazol-1-ylhexan-3-amine

C13H19N3 — CID 106800346

IUPAC6-indazol-1-ylhexan-3-amine
SMILESCCC(N)CCCn1ncc2ccccc21
InChIInChI=1S/C13H19N3/c1-2-12(14)7-5-9-16-13-8-4-3-6-11(13)10-15-16/h3-4,6,8,10,12H,2,5,7,9,14H2,1H3
InChIKeyNYYLETRQIKLWNI-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.55
Rot. Bonds5

About 6-indazol-1-ylhexan-3-amine

6-indazol-1-ylhexan-3-amine (PubChem CID 106800346) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 6-indazol-1-ylhexan-3-amine.

Molecular Properties

Compound Name6-indazol-1-ylhexan-3-amine
PubChem CID106800346
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name6-indazol-1-ylhexan-3-amine
SMILESCCC(N)CCCn1ncc2ccccc21
InChIInChI=1S/C13H19N3/c1-2-12(14)7-5-9-16-13-8-4-3-6-11(13)10-15-16/h3-4,6,8,10,12H,2,5,7,9,14H2,1H3
InChIKeyNYYLETRQIKLWNI-UHFFFAOYSA-N
XLogP2.55
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-indazol-1-ylhexan-3-amine?
The IUPAC name of 6-indazol-1-ylhexan-3-amine (CID 106800346) is 6-indazol-1-ylhexan-3-amine.
What is the SMILES notation for 6-indazol-1-ylhexan-3-amine?
The canonical SMILES for 6-indazol-1-ylhexan-3-amine is CCC(N)CCCn1ncc2ccccc21.
What is the InChIKey of 6-indazol-1-ylhexan-3-amine?
The InChIKey is NYYLETRQIKLWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-2-12(14)7-5-9-16-13-8-4-3-6-11(13)10-15-16/h3-4,6,8,10,12H,2,5,7,9,14H2,1H3.
What are the key properties of 6-indazol-1-ylhexan-3-amine?
6-indazol-1-ylhexan-3-amine has a molecular weight of 217.32 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-indazol-1-ylhexan-3-amine is sourced from PubChem (CID 106800346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).