6-methylspiro[1,2,3,5-tetrahydro-1,5-benzodiazepine-4,1'-cyclohexane]

C15H22N2 — CID 115554350

IUPAC6-methylspiro[1,2,3,5-tetrahydro-1,5-benzodiazepine-4,1'-cyclohexane]
SMILESCc1cccc2c1NC1(CCCCC1)CCN2
InChIInChI=1S/C15H22N2/c1-12-6-5-7-13-14(12)17-15(10-11-16-13)8-3-2-4-9-15/h5-7,16-17H,2-4,8-11H2,1H3
InChIKeyJJYOYLPEDUIIRN-UHFFFAOYSA-N
MW230.35 g/mol
LogP3.93
Rot. Bonds

About 6-methylspiro[1,2,3,5-tetrahydro-1,5-benzodiazepine-4,1'-cyclohexane]

6-methylspiro[1,2,3,5-tetrahydro-1,5-benzodiazepine-4,1'-cyclohexane] (PubChem CID 115554350) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 6-methylspiro[1,2,3,5-tetrahydro-1,5-benzodiazepine-4,1'-cyclohexane].

Molecular Properties

Compound Name6-methylspiro[1,2,3,5-tetrahydro-1,5-benzodiazepine-4,1'-cyclohexane]
PubChem CID115554350
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name6-methylspiro[1,2,3,5-tetrahydro-1,5-benzodiazepine-4,1'-cyclohexane]
SMILESCc1cccc2c1NC1(CCCCC1)CCN2
InChIInChI=1S/C15H22N2/c1-12-6-5-7-13-14(12)17-15(10-11-16-13)8-3-2-4-9-15/h5-7,16-17H,2-4,8-11H2,1H3
InChIKeyJJYOYLPEDUIIRN-UHFFFAOYSA-N
XLogP3.93
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-methylspiro[1,2,3,5-tetrahydro-1,5-benzodiazepine-4,1'-cyclohexane] with MolForge

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Related Compounds

4,8-dimethylspiro[3,4-dihydro-1H-quinoline-2,1'-cycloheptane]
CID 5213420
spiro[1,2,3,5-tetrahydro-1,5-benzodiazepine-4,1'-cyclopropane]
CID 131150820
6-methylspiro[1,2,4,5-tetrahydro-1,5-benzodiazepine-3,1'-cyclopropane]
CID 115554372
7,8-dimethoxyspiro[1,2,3,5-tetrahydro-1,5-benzodiazepine-4,1'-cyclohexane]
CID 83002006
6-propan-2-yloxyspiro[1,3,4,5-tetrahydro-1,5-benzodiazepine-2,1'-cyclobutane]
CID 113393610
6-methylspiro[4,5-dihydro-1H-1,5-benzodiazepine-3,1'-cyclohexane]-2-one
CID 115554290
6-methylspiro[4,5-dihydro-1H-1,5-benzodiazepine-3,1'-cycloheptane]-2-one
CID 115554293
6-fluoro-4,4-dimethyl-1,2,3,5-tetrahydro-1,5-benzodiazepine
CID 130526508
5,5-dimethylspiro[3,4-dihydro-1H-1-benzazepine-2,1'-cyclohexane]
CID 134969399
4-fluoro-4,8-dimethyl-2,3-dihydro-1H-quinoline
CID 84718184
6,8-difluorospiro[1,3,4,5-tetrahydro-1,5-benzodiazepine-2,1'-cyclopentane]
CID 113325806
7-chlorospiro[1,3,4,5-tetrahydro-1,5-benzodiazepine-2,1'-cyclopropane]
CID 131001610

Frequently Asked Questions

What is the IUPAC name of 6-methylspiro[1,2,3,5-tetrahydro-1,5-benzodiazepine-4,1'-cyclohexane]?
The IUPAC name of 6-methylspiro[1,2,3,5-tetrahydro-1,5-benzodiazepine-4,1'-cyclohexane] (CID 115554350) is 6-methylspiro[1,2,3,5-tetrahydro-1,5-benzodiazepine-4,1'-cyclohexane].
What is the SMILES notation for 6-methylspiro[1,2,3,5-tetrahydro-1,5-benzodiazepine-4,1'-cyclohexane]?
The canonical SMILES for 6-methylspiro[1,2,3,5-tetrahydro-1,5-benzodiazepine-4,1'-cyclohexane] is Cc1cccc2c1NC1(CCCCC1)CCN2.
What is the InChIKey of 6-methylspiro[1,2,3,5-tetrahydro-1,5-benzodiazepine-4,1'-cyclohexane]?
The InChIKey is JJYOYLPEDUIIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-12-6-5-7-13-14(12)17-15(10-11-16-13)8-3-2-4-9-15/h5-7,16-17H,2-4,8-11H2,1H3.
What are the key properties of 6-methylspiro[1,2,3,5-tetrahydro-1,5-benzodiazepine-4,1'-cyclohexane]?
6-methylspiro[1,2,3,5-tetrahydro-1,5-benzodiazepine-4,1'-cyclohexane] has a molecular weight of 230.35 g/mol, XLogP of 3.93, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylspiro[1,2,3,5-tetrahydro-1,5-benzodiazepine-4,1'-cyclohexane] is sourced from PubChem (CID 115554350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).