propane;1,3,6-trimethyl-2,3-dihydroindazole

C13H22N2 — CID 145052504

IUPACpropane;1,3,6-trimethyl-2,3-dihydroindazole
SMILESCCC.Cc1ccc2c(c1)N(C)NC2C
InChIInChI=1S/C10H14N2.C3H8/c1-7-4-5-9-8(2)11-12(3)10(9)6-7;1-3-2/h4-6,8,11H,1-3H3;3H2,1-2H3
InChIKeyXZZMANDYSKJKNO-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.43
Rot. Bonds

About propane;1,3,6-trimethyl-2,3-dihydroindazole

propane;1,3,6-trimethyl-2,3-dihydroindazole (PubChem CID 145052504) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is propane;1,3,6-trimethyl-2,3-dihydroindazole.

Molecular Properties

Compound Namepropane;1,3,6-trimethyl-2,3-dihydroindazole
PubChem CID145052504
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Namepropane;1,3,6-trimethyl-2,3-dihydroindazole
SMILESCCC.Cc1ccc2c(c1)N(C)NC2C
InChIInChI=1S/C10H14N2.C3H8/c1-7-4-5-9-8(2)11-12(3)10(9)6-7;1-3-2/h4-6,8,11H,1-3H3;3H2,1-2H3
InChIKeyXZZMANDYSKJKNO-UHFFFAOYSA-N
XLogP3.43
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 84622908
2-ethyl-2,3,6-trimethyl-1,3-dihydroindole
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2,6,9,10-tetramethyl-9,10-dihydroanthracene
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propane;1,2,4,7-tetramethyl-1,2,3,4-tetrahydronaphthalene
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(2R)-2-[(4R)-2,2,4,7-tetramethyl-3,4-dihydroquinolin-1-yl]butanehydrazide
CID 125044444
2-ethyl-2,3,4,7-tetramethyl-3,4-dihydro-1H-quinoline
CID 117193884
2-(2,4-dimethylphenyl)-5-ethyl-3,5-dimethylimidazolidin-4-one
CID 83259966
ethane;propane;1,3-xylene
CID 144528046
3,5-dimethyl-2,3-dihydro-1,2-benzothiazole
CID 58047185
2,6-dimethylnaphthalene;propane
CID 142191183
1,2,2,4,6-pentamethyl-3,4-dihydroquinoline
CID 14387761
1,7-dimethyl-3,4-dihydro-2H-quinolin-4-amine
CID 82276289

Frequently Asked Questions

What is the IUPAC name of propane;1,3,6-trimethyl-2,3-dihydroindazole?
The IUPAC name of propane;1,3,6-trimethyl-2,3-dihydroindazole (CID 145052504) is propane;1,3,6-trimethyl-2,3-dihydroindazole.
What is the SMILES notation for propane;1,3,6-trimethyl-2,3-dihydroindazole?
The canonical SMILES for propane;1,3,6-trimethyl-2,3-dihydroindazole is CCC.Cc1ccc2c(c1)N(C)NC2C.
What is the InChIKey of propane;1,3,6-trimethyl-2,3-dihydroindazole?
The InChIKey is XZZMANDYSKJKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2.C3H8/c1-7-4-5-9-8(2)11-12(3)10(9)6-7;1-3-2/h4-6,8,11H,1-3H3;3H2,1-2H3.
What are the key properties of propane;1,3,6-trimethyl-2,3-dihydroindazole?
propane;1,3,6-trimethyl-2,3-dihydroindazole has a molecular weight of 206.33 g/mol, XLogP of 3.43, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propane;1,3,6-trimethyl-2,3-dihydroindazole is sourced from PubChem (CID 145052504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).