6-propan-2-yloxyspiro[1,3,4,5-tetrahydro-1,5-benzodiazepine-2,1'-cyclobutane]

C15H22N2O — CID 113393610

IUPAC6-propan-2-yloxyspiro[1,3,4,5-tetrahydro-1,5-benzodiazepine-2,1'-cyclobutane]
SMILESCC(C)Oc1cccc2c1NCCC1(CCC1)N2
InChIInChI=1S/C15H22N2O/c1-11(2)18-13-6-3-5-12-14(13)16-10-9-15(17-12)7-4-8-15/h3,5-6,11,16-17H,4,7-10H2,1-2H3
InChIKeyBBRUUAYUBKCTFL-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.62
Rot. Bonds2

About 6-propan-2-yloxyspiro[1,3,4,5-tetrahydro-1,5-benzodiazepine-2,1'-cyclobutane]

6-propan-2-yloxyspiro[1,3,4,5-tetrahydro-1,5-benzodiazepine-2,1'-cyclobutane] (PubChem CID 113393610) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 6-propan-2-yloxyspiro[1,3,4,5-tetrahydro-1,5-benzodiazepine-2,1'-cyclobutane].

Molecular Properties

Compound Name6-propan-2-yloxyspiro[1,3,4,5-tetrahydro-1,5-benzodiazepine-2,1'-cyclobutane]
PubChem CID113393610
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name6-propan-2-yloxyspiro[1,3,4,5-tetrahydro-1,5-benzodiazepine-2,1'-cyclobutane]
SMILESCC(C)Oc1cccc2c1NCCC1(CCC1)N2
InChIInChI=1S/C15H22N2O/c1-11(2)18-13-6-3-5-12-14(13)16-10-9-15(17-12)7-4-8-15/h3,5-6,11,16-17H,4,7-10H2,1-2H3
InChIKeyBBRUUAYUBKCTFL-UHFFFAOYSA-N
XLogP3.62
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-propan-2-yloxyspiro[1,3,4,5-tetrahydro-1,5-benzodiazepine-2,1'-cyclobutane] with MolForge

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Related Compounds

6-propan-2-yloxyspiro[2,5-dihydro-1H-1,5-benzodiazepine-3,1'-cyclopropane]-4-one
CID 113393579
6-methylspiro[1,2,3,5-tetrahydro-1,5-benzodiazepine-4,1'-cyclohexane]
CID 115554350
3-methyl-6-propan-2-yloxy-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-one
CID 113393567
spiro[1,2,3,5-tetrahydro-1,5-benzodiazepine-4,1'-cyclopropane]
CID 131150820
2-(2-methoxyethyl)-5-propan-2-yloxy-1,2,3,4-tetrahydroquinoxaline
CID 113393594
7,8-dimethoxyspiro[1,2,3,5-tetrahydro-1,5-benzodiazepine-4,1'-cyclohexane]
CID 83002006
6-propan-2-yloxy-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-4-one
CID 113393558
4,4-difluoro-6-methoxy-1,2,3,5-tetrahydro-1-benzazepine
CID 84723504
2-bromo-1,3-di(propan-2-yloxy)benzene
CID 102493711
5,5-dimethylspiro[3,4-dihydro-1H-1-benzazepine-2,1'-cyclohexane]
CID 134969399
[(1-methylcyclohexyl)-(2-propan-2-yloxyphenyl)methyl]hydrazine
CID 106831316
6-methoxyspiro[1,2,4,5-tetrahydro-1,5-benzodiazepine-3,1'-cyclohexane]
CID 113393267

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yloxyspiro[1,3,4,5-tetrahydro-1,5-benzodiazepine-2,1'-cyclobutane]?
The IUPAC name of 6-propan-2-yloxyspiro[1,3,4,5-tetrahydro-1,5-benzodiazepine-2,1'-cyclobutane] (CID 113393610) is 6-propan-2-yloxyspiro[1,3,4,5-tetrahydro-1,5-benzodiazepine-2,1'-cyclobutane].
What is the SMILES notation for 6-propan-2-yloxyspiro[1,3,4,5-tetrahydro-1,5-benzodiazepine-2,1'-cyclobutane]?
The canonical SMILES for 6-propan-2-yloxyspiro[1,3,4,5-tetrahydro-1,5-benzodiazepine-2,1'-cyclobutane] is CC(C)Oc1cccc2c1NCCC1(CCC1)N2.
What is the InChIKey of 6-propan-2-yloxyspiro[1,3,4,5-tetrahydro-1,5-benzodiazepine-2,1'-cyclobutane]?
The InChIKey is BBRUUAYUBKCTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11(2)18-13-6-3-5-12-14(13)16-10-9-15(17-12)7-4-8-15/h3,5-6,11,16-17H,4,7-10H2,1-2H3.
What are the key properties of 6-propan-2-yloxyspiro[1,3,4,5-tetrahydro-1,5-benzodiazepine-2,1'-cyclobutane]?
6-propan-2-yloxyspiro[1,3,4,5-tetrahydro-1,5-benzodiazepine-2,1'-cyclobutane] has a molecular weight of 246.35 g/mol, XLogP of 3.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yloxyspiro[1,3,4,5-tetrahydro-1,5-benzodiazepine-2,1'-cyclobutane] is sourced from PubChem (CID 113393610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).