5,5-dimethylspiro[3,4-dihydro-1H-1-benzazepine-2,1'-cyclohexane]

C17H25N — CID 134969399

IUPAC5,5-dimethylspiro[3,4-dihydro-1H-1-benzazepine-2,1'-cyclohexane]
SMILESCC1(C)CCC2(CCCCC2)Nc2ccccc21
InChIInChI=1S/C17H25N/c1-16(2)12-13-17(10-6-3-7-11-17)18-15-9-5-4-8-14(15)16/h4-5,8-9,18H,3,6-7,10-13H2,1-2H3
InChIKeyGGVWXSJTACTWHY-UHFFFAOYSA-N
MW243.39 g/mol
LogP4.87
Rot. Bonds

About 5,5-dimethylspiro[3,4-dihydro-1H-1-benzazepine-2,1'-cyclohexane]

5,5-dimethylspiro[3,4-dihydro-1H-1-benzazepine-2,1'-cyclohexane] (PubChem CID 134969399) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is 5,5-dimethylspiro[3,4-dihydro-1H-1-benzazepine-2,1'-cyclohexane].

Molecular Properties

Compound Name5,5-dimethylspiro[3,4-dihydro-1H-1-benzazepine-2,1'-cyclohexane]
PubChem CID134969399
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name5,5-dimethylspiro[3,4-dihydro-1H-1-benzazepine-2,1'-cyclohexane]
SMILESCC1(C)CCC2(CCCCC2)Nc2ccccc21
InChIInChI=1S/C17H25N/c1-16(2)12-13-17(10-6-3-7-11-17)18-15-9-5-4-8-14(15)16/h4-5,8-9,18H,3,6-7,10-13H2,1-2H3
InChIKeyGGVWXSJTACTWHY-UHFFFAOYSA-N
XLogP4.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethylspiro[3,4-dihydro-1H-1-benzazepine-2,1'-cyclohexane]?
The IUPAC name of 5,5-dimethylspiro[3,4-dihydro-1H-1-benzazepine-2,1'-cyclohexane] (CID 134969399) is 5,5-dimethylspiro[3,4-dihydro-1H-1-benzazepine-2,1'-cyclohexane].
What is the SMILES notation for 5,5-dimethylspiro[3,4-dihydro-1H-1-benzazepine-2,1'-cyclohexane]?
The canonical SMILES for 5,5-dimethylspiro[3,4-dihydro-1H-1-benzazepine-2,1'-cyclohexane] is CC1(C)CCC2(CCCCC2)Nc2ccccc21.
What is the InChIKey of 5,5-dimethylspiro[3,4-dihydro-1H-1-benzazepine-2,1'-cyclohexane]?
The InChIKey is GGVWXSJTACTWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c1-16(2)12-13-17(10-6-3-7-11-17)18-15-9-5-4-8-14(15)16/h4-5,8-9,18H,3,6-7,10-13H2,1-2H3.
What are the key properties of 5,5-dimethylspiro[3,4-dihydro-1H-1-benzazepine-2,1'-cyclohexane]?
5,5-dimethylspiro[3,4-dihydro-1H-1-benzazepine-2,1'-cyclohexane] has a molecular weight of 243.39 g/mol, XLogP of 4.87, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethylspiro[3,4-dihydro-1H-1-benzazepine-2,1'-cyclohexane] is sourced from PubChem (CID 134969399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).