2-indazol-1-ylcycloheptan-1-amine

C14H19N3 — CID 55040785

IUPAC2-indazol-1-ylcycloheptan-1-amine
SMILESNC1CCCCCC1n1ncc2ccccc21
InChIInChI=1S/C14H19N3/c15-12-7-2-1-3-9-14(12)17-13-8-5-4-6-11(13)10-16-17/h4-6,8,10,12,14H,1-3,7,9,15H2
InChIKeyRMMILWFQKIUKHQ-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.87
Rot. Bonds1

About 2-indazol-1-ylcycloheptan-1-amine

2-indazol-1-ylcycloheptan-1-amine (PubChem CID 55040785) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 2-indazol-1-ylcycloheptan-1-amine.

Molecular Properties

Compound Name2-indazol-1-ylcycloheptan-1-amine
PubChem CID55040785
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name2-indazol-1-ylcycloheptan-1-amine
SMILESNC1CCCCCC1n1ncc2ccccc21
InChIInChI=1S/C14H19N3/c15-12-7-2-1-3-9-14(12)17-13-8-5-4-6-11(13)10-16-17/h4-6,8,10,12,14H,1-3,7,9,15H2
InChIKeyRMMILWFQKIUKHQ-UHFFFAOYSA-N
XLogP2.87
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-indazol-1-ylcycloheptan-1-amine?
The IUPAC name of 2-indazol-1-ylcycloheptan-1-amine (CID 55040785) is 2-indazol-1-ylcycloheptan-1-amine.
What is the SMILES notation for 2-indazol-1-ylcycloheptan-1-amine?
The canonical SMILES for 2-indazol-1-ylcycloheptan-1-amine is NC1CCCCCC1n1ncc2ccccc21.
What is the InChIKey of 2-indazol-1-ylcycloheptan-1-amine?
The InChIKey is RMMILWFQKIUKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c15-12-7-2-1-3-9-14(12)17-13-8-5-4-6-11(13)10-16-17/h4-6,8,10,12,14H,1-3,7,9,15H2.
What are the key properties of 2-indazol-1-ylcycloheptan-1-amine?
2-indazol-1-ylcycloheptan-1-amine has a molecular weight of 229.33 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-indazol-1-ylcycloheptan-1-amine is sourced from PubChem (CID 55040785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).