2-(7,7-dimethyl-5,6-dihydro-4H-indazol-2-yl)ethanamine

C11H19N3 — CID 142262265

IUPAC2-(7,7-dimethyl-5,6-dihydro-4H-indazol-2-yl)ethanamine
SMILESCC1(C)CCCc2cn(CCN)nc21
InChIInChI=1S/C11H19N3/c1-11(2)5-3-4-9-8-14(7-6-12)13-10(9)11/h8H,3-7,12H2,1-2H3
InChIKeyFIGVIBXCWKPBID-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.46
Rot. Bonds2

About 2-(7,7-dimethyl-5,6-dihydro-4H-indazol-2-yl)ethanamine

2-(7,7-dimethyl-5,6-dihydro-4H-indazol-2-yl)ethanamine (PubChem CID 142262265) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-(7,7-dimethyl-5,6-dihydro-4H-indazol-2-yl)ethanamine.

Molecular Properties

Compound Name2-(7,7-dimethyl-5,6-dihydro-4H-indazol-2-yl)ethanamine
PubChem CID142262265
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name2-(7,7-dimethyl-5,6-dihydro-4H-indazol-2-yl)ethanamine
SMILESCC1(C)CCCc2cn(CCN)nc21
InChIInChI=1S/C11H19N3/c1-11(2)5-3-4-9-8-14(7-6-12)13-10(9)11/h8H,3-7,12H2,1-2H3
InChIKeyFIGVIBXCWKPBID-UHFFFAOYSA-N
XLogP1.46
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(7,7-dimethyl-5,6-dihydro-4H-indazol-2-yl)ethanamine?
The IUPAC name of 2-(7,7-dimethyl-5,6-dihydro-4H-indazol-2-yl)ethanamine (CID 142262265) is 2-(7,7-dimethyl-5,6-dihydro-4H-indazol-2-yl)ethanamine.
What is the SMILES notation for 2-(7,7-dimethyl-5,6-dihydro-4H-indazol-2-yl)ethanamine?
The canonical SMILES for 2-(7,7-dimethyl-5,6-dihydro-4H-indazol-2-yl)ethanamine is CC1(C)CCCc2cn(CCN)nc21.
What is the InChIKey of 2-(7,7-dimethyl-5,6-dihydro-4H-indazol-2-yl)ethanamine?
The InChIKey is FIGVIBXCWKPBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-11(2)5-3-4-9-8-14(7-6-12)13-10(9)11/h8H,3-7,12H2,1-2H3.
What are the key properties of 2-(7,7-dimethyl-5,6-dihydro-4H-indazol-2-yl)ethanamine?
2-(7,7-dimethyl-5,6-dihydro-4H-indazol-2-yl)ethanamine has a molecular weight of 193.29 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7,7-dimethyl-5,6-dihydro-4H-indazol-2-yl)ethanamine is sourced from PubChem (CID 142262265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).