5,6-dimethylspiro[2,4-dihydro-1H-1,5-benzodiazepine-3,1'-cyclopentane]

C15H22N2 — CID 115099504

IUPAC5,6-dimethylspiro[2,4-dihydro-1H-1,5-benzodiazepine-3,1'-cyclopentane]
SMILESCc1cccc2c1N(C)CC1(CCCC1)CN2
InChIInChI=1S/C15H22N2/c1-12-6-5-7-13-14(12)17(2)11-15(10-16-13)8-3-4-9-15/h5-7,16H,3-4,8-11H2,1-2H3
InChIKeyOSVMOIBPUMVVFB-UHFFFAOYSA-N
MW230.36 g/mol
LogP3.42
Rot. Bonds

About 5,6-dimethylspiro[2,4-dihydro-1H-1,5-benzodiazepine-3,1'-cyclopentane]

5,6-dimethylspiro[2,4-dihydro-1H-1,5-benzodiazepine-3,1'-cyclopentane] (PubChem CID 115099504) has the molecular formula C15H22N2 and a molecular weight of 230.36 g/mol. Its IUPAC name is 5,6-dimethylspiro[2,4-dihydro-1H-1,5-benzodiazepine-3,1'-cyclopentane].

Molecular Properties

Compound Name5,6-dimethylspiro[2,4-dihydro-1H-1,5-benzodiazepine-3,1'-cyclopentane]
PubChem CID115099504
Molecular FormulaC15H22N2
Molecular Weight230.36 g/mol
Exact Mass230.18
IUPAC Name5,6-dimethylspiro[2,4-dihydro-1H-1,5-benzodiazepine-3,1'-cyclopentane]
SMILESCc1cccc2c1N(C)CC1(CCCC1)CN2
InChIInChI=1S/C15H22N2/c1-12-6-5-7-13-14(12)17(2)11-15(10-16-13)8-3-4-9-15/h5-7,16H,3-4,8-11H2,1-2H3
InChIKeyOSVMOIBPUMVVFB-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5,6-dimethylspiro[2,4-dihydro-1H-1,5-benzodiazepine-3,1'-cyclopentane] with MolForge

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Related Compounds

6-methoxy-5-methylspiro[2,4-dihydro-1H-1,5-benzodiazepine-3,1'-cyclobutane]
CID 115099270
6-fluoro-5-methylspiro[2,4-dihydro-1H-1,5-benzodiazepine-3,1'-cyclopropane]
CID 115099075
5-methylspiro[2,4-dihydro-1H-1,5-benzodiazepine-3,1'-cyclopentane]
CID 115099503
5-methyl-4-propan-2-ylspiro[1,2-dihydroquinoxaline-3,1'-cyclohexane]
CID 115097965
1-methylspiro[4,5-dihydro-2H-1,5-benzodiazepine-3,1'-cyclohexane]-6-ol
CID 115099795
6-methylspiro[1,2,4,5-tetrahydro-1,5-benzodiazepine-3,1'-cyclopropane]
CID 115554372
5-bromo-4-methylspiro[1,2-dihydroquinoxaline-3,1'-cyclohexane]
CID 115097943
7-bromo-5-methylspiro[2,4-dihydro-1H-1,5-benzodiazepine-3,1'-cyclobutane]
CID 115099440
1-(2,2,8-trimethyl-3,4-dihydroquinoxalin-1-yl)ethanone
CID 82393197
1,3,3,9-tetramethyl-4,5-dihydro-2H-1,4-benzodiazepine
CID 82241404
spiro[1,2,4,5-tetrahydro-1,5-benzodiazepine-3,1'-cyclopentane]-6-ol
CID 115099509
5-tert-butyl-4-methylspiro[1,2-dihydroquinoxaline-3,1'-cyclopentane]
CID 84637531

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethylspiro[2,4-dihydro-1H-1,5-benzodiazepine-3,1'-cyclopentane]?
The IUPAC name of 5,6-dimethylspiro[2,4-dihydro-1H-1,5-benzodiazepine-3,1'-cyclopentane] (CID 115099504) is 5,6-dimethylspiro[2,4-dihydro-1H-1,5-benzodiazepine-3,1'-cyclopentane].
What is the SMILES notation for 5,6-dimethylspiro[2,4-dihydro-1H-1,5-benzodiazepine-3,1'-cyclopentane]?
The canonical SMILES for 5,6-dimethylspiro[2,4-dihydro-1H-1,5-benzodiazepine-3,1'-cyclopentane] is Cc1cccc2c1N(C)CC1(CCCC1)CN2.
What is the InChIKey of 5,6-dimethylspiro[2,4-dihydro-1H-1,5-benzodiazepine-3,1'-cyclopentane]?
The InChIKey is OSVMOIBPUMVVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-12-6-5-7-13-14(12)17(2)11-15(10-16-13)8-3-4-9-15/h5-7,16H,3-4,8-11H2,1-2H3.
What are the key properties of 5,6-dimethylspiro[2,4-dihydro-1H-1,5-benzodiazepine-3,1'-cyclopentane]?
5,6-dimethylspiro[2,4-dihydro-1H-1,5-benzodiazepine-3,1'-cyclopentane] has a molecular weight of 230.36 g/mol, XLogP of 3.42, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethylspiro[2,4-dihydro-1H-1,5-benzodiazepine-3,1'-cyclopentane] is sourced from PubChem (CID 115099504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).