[3-(1-azabicyclo[2.2.2]octan-3-yl)-1,2-dihydroindazol-3-yl]methanamine

C15H22N4 — CID 141186701

IUPAC[3-(1-azabicyclo[2.2.2]octan-3-yl)-1,2-dihydroindazol-3-yl]methanamine
SMILESNCC1(C2CN3CCC2CC3)NNc2ccccc21
InChIInChI=1S/C15H22N4/c16-10-15(12-3-1-2-4-14(12)17-18-15)13-9-19-7-5-11(13)6-8-19/h1-4,11,13,17-18H,5-10,16H2
InChIKeyULMHVANRDHWVHU-UHFFFAOYSA-N
MW258.37 g/mol
LogP1.11
Rot. Bonds2

About [3-(1-azabicyclo[2.2.2]octan-3-yl)-1,2-dihydroindazol-3-yl]methanamine

[3-(1-azabicyclo[2.2.2]octan-3-yl)-1,2-dihydroindazol-3-yl]methanamine (PubChem CID 141186701) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is [3-(1-azabicyclo[2.2.2]octan-3-yl)-1,2-dihydroindazol-3-yl]methanamine.

Molecular Properties

Compound Name[3-(1-azabicyclo[2.2.2]octan-3-yl)-1,2-dihydroindazol-3-yl]methanamine
PubChem CID141186701
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name[3-(1-azabicyclo[2.2.2]octan-3-yl)-1,2-dihydroindazol-3-yl]methanamine
SMILESNCC1(C2CN3CCC2CC3)NNc2ccccc21
InChIInChI=1S/C15H22N4/c16-10-15(12-3-1-2-4-14(12)17-18-15)13-9-19-7-5-11(13)6-8-19/h1-4,11,13,17-18H,5-10,16H2
InChIKeyULMHVANRDHWVHU-UHFFFAOYSA-N
XLogP1.11
TPSA53.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(1-azabicyclo[2.2.2]octan-3-yl)-1,2-dihydroindazol-3-yl]methanamine?
The IUPAC name of [3-(1-azabicyclo[2.2.2]octan-3-yl)-1,2-dihydroindazol-3-yl]methanamine (CID 141186701) is [3-(1-azabicyclo[2.2.2]octan-3-yl)-1,2-dihydroindazol-3-yl]methanamine.
What is the SMILES notation for [3-(1-azabicyclo[2.2.2]octan-3-yl)-1,2-dihydroindazol-3-yl]methanamine?
The canonical SMILES for [3-(1-azabicyclo[2.2.2]octan-3-yl)-1,2-dihydroindazol-3-yl]methanamine is NCC1(C2CN3CCC2CC3)NNc2ccccc21.
What is the InChIKey of [3-(1-azabicyclo[2.2.2]octan-3-yl)-1,2-dihydroindazol-3-yl]methanamine?
The InChIKey is ULMHVANRDHWVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c16-10-15(12-3-1-2-4-14(12)17-18-15)13-9-19-7-5-11(13)6-8-19/h1-4,11,13,17-18H,5-10,16H2.
What are the key properties of [3-(1-azabicyclo[2.2.2]octan-3-yl)-1,2-dihydroindazol-3-yl]methanamine?
[3-(1-azabicyclo[2.2.2]octan-3-yl)-1,2-dihydroindazol-3-yl]methanamine has a molecular weight of 258.37 g/mol, XLogP of 1.11, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-azabicyclo[2.2.2]octan-3-yl)-1,2-dihydroindazol-3-yl]methanamine is sourced from PubChem (CID 141186701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).