1-(2-cycloheptyloxyphenyl)-1,4-diazepane

C18H28N2O — CID 82925695

IUPAC1-(2-cycloheptyloxyphenyl)-1,4-diazepane
SMILESc1ccc(N2CCCNCC2)c(OC2CCCCCC2)c1
InChIInChI=1S/C18H28N2O/c1-2-4-9-16(8-3-1)21-18-11-6-5-10-17(18)20-14-7-12-19-13-15-20/h5-6,10-11,16,19H,1-4,7-9,12-15H2
InChIKeyLSKRIDQMBLVDTJ-UHFFFAOYSA-N
MW288.43 g/mol
LogP3.59
Rot. Bonds3

About 1-(2-cycloheptyloxyphenyl)-1,4-diazepane

1-(2-cycloheptyloxyphenyl)-1,4-diazepane (PubChem CID 82925695) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is 1-(2-cycloheptyloxyphenyl)-1,4-diazepane.

Molecular Properties

Compound Name1-(2-cycloheptyloxyphenyl)-1,4-diazepane
PubChem CID82925695
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name1-(2-cycloheptyloxyphenyl)-1,4-diazepane
SMILESc1ccc(N2CCCNCC2)c(OC2CCCCCC2)c1
InChIInChI=1S/C18H28N2O/c1-2-4-9-16(8-3-1)21-18-11-6-5-10-17(18)20-14-7-12-19-13-15-20/h5-6,10-11,16,19H,1-4,7-9,12-15H2
InChIKeyLSKRIDQMBLVDTJ-UHFFFAOYSA-N
XLogP3.59
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]-1,4-diazepane
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Frequently Asked Questions

What is the IUPAC name of 1-(2-cycloheptyloxyphenyl)-1,4-diazepane?
The IUPAC name of 1-(2-cycloheptyloxyphenyl)-1,4-diazepane (CID 82925695) is 1-(2-cycloheptyloxyphenyl)-1,4-diazepane.
What is the SMILES notation for 1-(2-cycloheptyloxyphenyl)-1,4-diazepane?
The canonical SMILES for 1-(2-cycloheptyloxyphenyl)-1,4-diazepane is c1ccc(N2CCCNCC2)c(OC2CCCCCC2)c1.
What is the InChIKey of 1-(2-cycloheptyloxyphenyl)-1,4-diazepane?
The InChIKey is LSKRIDQMBLVDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-2-4-9-16(8-3-1)21-18-11-6-5-10-17(18)20-14-7-12-19-13-15-20/h5-6,10-11,16,19H,1-4,7-9,12-15H2.
What are the key properties of 1-(2-cycloheptyloxyphenyl)-1,4-diazepane?
1-(2-cycloheptyloxyphenyl)-1,4-diazepane has a molecular weight of 288.43 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cycloheptyloxyphenyl)-1,4-diazepane is sourced from PubChem (CID 82925695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).