5-tert-butyl-4-methylspiro[1,2-dihydroquinoxaline-3,1'-cyclopentane]

C17H26N2 — CID 84637531

IUPAC5-tert-butyl-4-methylspiro[1,2-dihydroquinoxaline-3,1'-cyclopentane]
SMILESCN1c2c(cccc2C(C)(C)C)NCC12CCCC2
InChIInChI=1S/C17H26N2/c1-16(2,3)13-8-7-9-14-15(13)19(4)17(12-18-14)10-5-6-11-17/h7-9,18H,5-6,10-12H2,1-4H3
InChIKeyAISSHKLAABPCOO-UHFFFAOYSA-N
MW258.41 g/mol
LogP4.16
Rot. Bonds

About 5-tert-butyl-4-methylspiro[1,2-dihydroquinoxaline-3,1'-cyclopentane]

5-tert-butyl-4-methylspiro[1,2-dihydroquinoxaline-3,1'-cyclopentane] (PubChem CID 84637531) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 5-tert-butyl-4-methylspiro[1,2-dihydroquinoxaline-3,1'-cyclopentane].

Molecular Properties

Compound Name5-tert-butyl-4-methylspiro[1,2-dihydroquinoxaline-3,1'-cyclopentane]
PubChem CID84637531
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name5-tert-butyl-4-methylspiro[1,2-dihydroquinoxaline-3,1'-cyclopentane]
SMILESCN1c2c(cccc2C(C)(C)C)NCC12CCCC2
InChIInChI=1S/C17H26N2/c1-16(2,3)13-8-7-9-14-15(13)19(4)17(12-18-14)10-5-6-11-17/h7-9,18H,5-6,10-12H2,1-4H3
InChIKeyAISSHKLAABPCOO-UHFFFAOYSA-N
XLogP4.16
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-tert-butyl-4-methylspiro[1,2-dihydroquinoxaline-3,1'-cyclopentane] with MolForge

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Related Compounds

4-methyl-5-(trifluoromethyl)spiro[1,2-dihydroquinoxaline-3,1'-cyclohexane]
CID 115097937
4-methyl-5-(trifluoromethyl)spiro[1,2-dihydroquinoxaline-3,1'-cyclopropane]
CID 115096893
5-bromo-4-methylspiro[1,2-dihydroquinoxaline-3,1'-cyclohexane]
CID 115097943
5-methoxy-4-methylspiro[1,2-dihydroquinoxaline-3,1'-cyclohexane]
CID 115097947
5-methoxy-4-methylspiro[1,2-dihydroquinoxaline-3,1'-cyclobutane]
CID 115097269
5-methyl-4-propan-2-ylspiro[1,2-dihydroquinoxaline-3,1'-cyclohexane]
CID 115097965
5-fluoro-4-propan-2-ylspiro[1,2-dihydroquinoxaline-3,1'-cyclopentane]
CID 115097649
5,6-dimethylspiro[2,4-dihydro-1H-1,5-benzodiazepine-3,1'-cyclopentane]
CID 115099504
6-tert-butyl-1'-methylspiro[1,2-dihydroindole-3,4'-piperidine]
CID 83853408
6-fluoro-5-methylspiro[2,4-dihydro-1H-1,5-benzodiazepine-3,1'-cyclopropane]
CID 115099075
6-methoxy-5-methylspiro[2,4-dihydro-1H-1,5-benzodiazepine-3,1'-cyclobutane]
CID 115099270
tert-butyl 8-tert-butyl-3,3-dimethyl-2,4-dihydroquinoxaline-1-carboxylate
CID 84645694

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-4-methylspiro[1,2-dihydroquinoxaline-3,1'-cyclopentane]?
The IUPAC name of 5-tert-butyl-4-methylspiro[1,2-dihydroquinoxaline-3,1'-cyclopentane] (CID 84637531) is 5-tert-butyl-4-methylspiro[1,2-dihydroquinoxaline-3,1'-cyclopentane].
What is the SMILES notation for 5-tert-butyl-4-methylspiro[1,2-dihydroquinoxaline-3,1'-cyclopentane]?
The canonical SMILES for 5-tert-butyl-4-methylspiro[1,2-dihydroquinoxaline-3,1'-cyclopentane] is CN1c2c(cccc2C(C)(C)C)NCC12CCCC2.
What is the InChIKey of 5-tert-butyl-4-methylspiro[1,2-dihydroquinoxaline-3,1'-cyclopentane]?
The InChIKey is AISSHKLAABPCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-16(2,3)13-8-7-9-14-15(13)19(4)17(12-18-14)10-5-6-11-17/h7-9,18H,5-6,10-12H2,1-4H3.
What are the key properties of 5-tert-butyl-4-methylspiro[1,2-dihydroquinoxaline-3,1'-cyclopentane]?
5-tert-butyl-4-methylspiro[1,2-dihydroquinoxaline-3,1'-cyclopentane] has a molecular weight of 258.41 g/mol, XLogP of 4.16, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-4-methylspiro[1,2-dihydroquinoxaline-3,1'-cyclopentane] is sourced from PubChem (CID 84637531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).