3-(indazol-1-ylmethyl)cyclohexan-1-amine

C14H19N3 — CID 67985266

IUPAC3-(indazol-1-ylmethyl)cyclohexan-1-amine
SMILESNC1CCCC(Cn2ncc3ccccc32)C1
InChIInChI=1S/C14H19N3/c15-13-6-3-4-11(8-13)10-17-14-7-2-1-5-12(14)9-16-17/h1-2,5,7,9,11,13H,3-4,6,8,10,15H2
InChIKeyMGSMLKZIGSKNSC-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.55
Rot. Bonds2

About 3-(indazol-1-ylmethyl)cyclohexan-1-amine

3-(indazol-1-ylmethyl)cyclohexan-1-amine (PubChem CID 67985266) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 3-(indazol-1-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name3-(indazol-1-ylmethyl)cyclohexan-1-amine
PubChem CID67985266
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name3-(indazol-1-ylmethyl)cyclohexan-1-amine
SMILESNC1CCCC(Cn2ncc3ccccc32)C1
InChIInChI=1S/C14H19N3/c15-13-6-3-4-11(8-13)10-17-14-7-2-1-5-12(14)9-16-17/h1-2,5,7,9,11,13H,3-4,6,8,10,15H2
InChIKeyMGSMLKZIGSKNSC-UHFFFAOYSA-N
XLogP2.55
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(indazol-1-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 3-(indazol-1-ylmethyl)cyclohexan-1-amine (CID 67985266) is 3-(indazol-1-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 3-(indazol-1-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 3-(indazol-1-ylmethyl)cyclohexan-1-amine is NC1CCCC(Cn2ncc3ccccc32)C1.
What is the InChIKey of 3-(indazol-1-ylmethyl)cyclohexan-1-amine?
The InChIKey is MGSMLKZIGSKNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c15-13-6-3-4-11(8-13)10-17-14-7-2-1-5-12(14)9-16-17/h1-2,5,7,9,11,13H,3-4,6,8,10,15H2.
What are the key properties of 3-(indazol-1-ylmethyl)cyclohexan-1-amine?
3-(indazol-1-ylmethyl)cyclohexan-1-amine has a molecular weight of 229.33 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(indazol-1-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 67985266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).