ethane;2-methylpropane;2-propan-2-ylindazole

C16H28N2 — CID 159582971

IUPACethane;2-methylpropane;2-propan-2-ylindazole
SMILESCC.CC(C)C.CC(C)n1cc2ccccc2n1
InChIInChI=1S/C10H12N2.C4H10.C2H6/c1-8(2)12-7-9-5-3-4-6-10(9)11-12;1-4(2)3;1-2/h3-8H,1-2H3;4H,1-3H3;1-2H3
InChIKeyMJGDQUPPRVADNK-UHFFFAOYSA-N
MW248.41 g/mol
LogP5.31
Rot. Bonds1

About ethane;2-methylpropane;2-propan-2-ylindazole

ethane;2-methylpropane;2-propan-2-ylindazole (PubChem CID 159582971) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is ethane;2-methylpropane;2-propan-2-ylindazole.

Molecular Properties

Compound Nameethane;2-methylpropane;2-propan-2-ylindazole
PubChem CID159582971
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Nameethane;2-methylpropane;2-propan-2-ylindazole
SMILESCC.CC(C)C.CC(C)n1cc2ccccc2n1
InChIInChI=1S/C10H12N2.C4H10.C2H6/c1-8(2)12-7-9-5-3-4-6-10(9)11-12;1-4(2)3;1-2/h3-8H,1-2H3;4H,1-3H3;1-2H3
InChIKeyMJGDQUPPRVADNK-UHFFFAOYSA-N
XLogP5.31
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.41
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1S)-1,2-dibromoethyl]indazole
CID 1271665
2-propan-2-ylindazol-5-ol
CID 84717775
2-indazol-2-yl-3-methylbutanoic acid
CID 50986535
6-chloro-2-propan-2-ylindazole
CID 84720409
2-propan-2-ylindazole-5-carbonitrile
CID 84718934
2-propan-2-ylindazol-7-ol
CID 84717779
6-(2-methylpropyl)-2-propan-2-ylindazole
CID 155051024
(2-propan-2-ylindazol-5-yl)methanol
CID 90356269
2-propan-2-ylindazole-6-carbaldehyde
CID 84719145
CID 90229039
CID 90229039
2,4-di(propan-2-yl)indazole
CID 166044650
N-methyl-1-(2-propan-2-ylindazol-5-yl)ethanamine
CID 84724099

Frequently Asked Questions

What is the IUPAC name of ethane;2-methylpropane;2-propan-2-ylindazole?
The IUPAC name of ethane;2-methylpropane;2-propan-2-ylindazole (CID 159582971) is ethane;2-methylpropane;2-propan-2-ylindazole.
What is the SMILES notation for ethane;2-methylpropane;2-propan-2-ylindazole?
The canonical SMILES for ethane;2-methylpropane;2-propan-2-ylindazole is CC.CC(C)C.CC(C)n1cc2ccccc2n1.
What is the InChIKey of ethane;2-methylpropane;2-propan-2-ylindazole?
The InChIKey is MJGDQUPPRVADNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2.C4H10.C2H6/c1-8(2)12-7-9-5-3-4-6-10(9)11-12;1-4(2)3;1-2/h3-8H,1-2H3;4H,1-3H3;1-2H3.
What are the key properties of ethane;2-methylpropane;2-propan-2-ylindazole?
ethane;2-methylpropane;2-propan-2-ylindazole has a molecular weight of 248.41 g/mol, XLogP of 5.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylpropane;2-propan-2-ylindazole is sourced from PubChem (CID 159582971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).