[(1R,3R)-3-(2H-indazol-3-yl)-2,2-dimethylcyclopropyl]methanamine

C13H17N3 — CID 178197172

IUPAC[(1R,3R)-3-(2H-indazol-3-yl)-2,2-dimethylcyclopropyl]methanamine
SMILESCC1(C)[C@H](CN)[C@H]1c1[nH]nc2ccccc12
InChIInChI=1S/C13H17N3/c1-13(2)9(7-14)11(13)12-8-5-3-4-6-10(8)15-16-12/h3-6,9,11H,7,14H2,1-2H3,(H,15,16)/t9-,11+/m1/s1
InChIKeyAOUWOVMZROAVRW-KOLCDFICSA-N
MW215.30 g/mol
LogP2.26
Rot. Bonds2

About [(1R,3R)-3-(2H-indazol-3-yl)-2,2-dimethylcyclopropyl]methanamine

[(1R,3R)-3-(2H-indazol-3-yl)-2,2-dimethylcyclopropyl]methanamine (PubChem CID 178197172) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is [(1R,3R)-3-(2H-indazol-3-yl)-2,2-dimethylcyclopropyl]methanamine.

Molecular Properties

Compound Name[(1R,3R)-3-(2H-indazol-3-yl)-2,2-dimethylcyclopropyl]methanamine
PubChem CID178197172
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name[(1R,3R)-3-(2H-indazol-3-yl)-2,2-dimethylcyclopropyl]methanamine
SMILESCC1(C)[C@H](CN)[C@H]1c1[nH]nc2ccccc12
InChIInChI=1S/C13H17N3/c1-13(2)9(7-14)11(13)12-8-5-3-4-6-10(8)15-16-12/h3-6,9,11H,7,14H2,1-2H3,(H,15,16)/t9-,11+/m1/s1
InChIKeyAOUWOVMZROAVRW-KOLCDFICSA-N
XLogP2.26
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1R,3R)-3-(2H-indazol-3-yl)-2,2-dimethylcyclopropyl]methanamine?
The IUPAC name of [(1R,3R)-3-(2H-indazol-3-yl)-2,2-dimethylcyclopropyl]methanamine (CID 178197172) is [(1R,3R)-3-(2H-indazol-3-yl)-2,2-dimethylcyclopropyl]methanamine.
What is the SMILES notation for [(1R,3R)-3-(2H-indazol-3-yl)-2,2-dimethylcyclopropyl]methanamine?
The canonical SMILES for [(1R,3R)-3-(2H-indazol-3-yl)-2,2-dimethylcyclopropyl]methanamine is CC1(C)[C@H](CN)[C@H]1c1[nH]nc2ccccc12.
What is the InChIKey of [(1R,3R)-3-(2H-indazol-3-yl)-2,2-dimethylcyclopropyl]methanamine?
The InChIKey is AOUWOVMZROAVRW-KOLCDFICSA-N. The full InChI is InChI=1S/C13H17N3/c1-13(2)9(7-14)11(13)12-8-5-3-4-6-10(8)15-16-12/h3-6,9,11H,7,14H2,1-2H3,(H,15,16)/t9-,11+/m1/s1.
What are the key properties of [(1R,3R)-3-(2H-indazol-3-yl)-2,2-dimethylcyclopropyl]methanamine?
[(1R,3R)-3-(2H-indazol-3-yl)-2,2-dimethylcyclopropyl]methanamine has a molecular weight of 215.30 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3R)-3-(2H-indazol-3-yl)-2,2-dimethylcyclopropyl]methanamine is sourced from PubChem (CID 178197172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).