2-(4-tert-butyl-2-chlorophenyl)-6-methyl-2,6-diazaspiro[3.3]heptane

C16H23ClN2 — CID 168755979

IUPAC2-(4-tert-butyl-2-chlorophenyl)-6-methyl-2,6-diazaspiro[3.3]heptane
SMILESCN1CC2(C1)CN(c1ccc(C(C)(C)C)cc1Cl)C2
InChIInChI=1S/C16H23ClN2/c1-15(2,3)12-5-6-14(13(17)7-12)19-10-16(11-19)8-18(4)9-16/h5-7H,8-11H2,1-4H3
InChIKeyUDDYXJSMFYWKHA-UHFFFAOYSA-N
MW278.83 g/mol
LogP3.39
Rot. Bonds1

About 2-(4-tert-butyl-2-chlorophenyl)-6-methyl-2,6-diazaspiro[3.3]heptane

2-(4-tert-butyl-2-chlorophenyl)-6-methyl-2,6-diazaspiro[3.3]heptane (PubChem CID 168755979) has the molecular formula C16H23ClN2 and a molecular weight of 278.83 g/mol. Its IUPAC name is 2-(4-tert-butyl-2-chlorophenyl)-6-methyl-2,6-diazaspiro[3.3]heptane.

Molecular Properties

Compound Name2-(4-tert-butyl-2-chlorophenyl)-6-methyl-2,6-diazaspiro[3.3]heptane
PubChem CID168755979
Molecular FormulaC16H23ClN2
Molecular Weight278.83 g/mol
Exact Mass278.15
IUPAC Name2-(4-tert-butyl-2-chlorophenyl)-6-methyl-2,6-diazaspiro[3.3]heptane
SMILESCN1CC2(C1)CN(c1ccc(C(C)(C)C)cc1Cl)C2
InChIInChI=1S/C16H23ClN2/c1-15(2,3)12-5-6-14(13(17)7-12)19-10-16(11-19)8-18(4)9-16/h5-7H,8-11H2,1-4H3
InChIKeyUDDYXJSMFYWKHA-UHFFFAOYSA-N
XLogP3.39
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.83
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-2-chlorophenyl)-6-methyl-2,6-diazaspiro[3.3]heptane?
The IUPAC name of 2-(4-tert-butyl-2-chlorophenyl)-6-methyl-2,6-diazaspiro[3.3]heptane (CID 168755979) is 2-(4-tert-butyl-2-chlorophenyl)-6-methyl-2,6-diazaspiro[3.3]heptane.
What is the SMILES notation for 2-(4-tert-butyl-2-chlorophenyl)-6-methyl-2,6-diazaspiro[3.3]heptane?
The canonical SMILES for 2-(4-tert-butyl-2-chlorophenyl)-6-methyl-2,6-diazaspiro[3.3]heptane is CN1CC2(C1)CN(c1ccc(C(C)(C)C)cc1Cl)C2.
What is the InChIKey of 2-(4-tert-butyl-2-chlorophenyl)-6-methyl-2,6-diazaspiro[3.3]heptane?
The InChIKey is UDDYXJSMFYWKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2/c1-15(2,3)12-5-6-14(13(17)7-12)19-10-16(11-19)8-18(4)9-16/h5-7H,8-11H2,1-4H3.
What are the key properties of 2-(4-tert-butyl-2-chlorophenyl)-6-methyl-2,6-diazaspiro[3.3]heptane?
2-(4-tert-butyl-2-chlorophenyl)-6-methyl-2,6-diazaspiro[3.3]heptane has a molecular weight of 278.83 g/mol, XLogP of 3.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-2-chlorophenyl)-6-methyl-2,6-diazaspiro[3.3]heptane is sourced from PubChem (CID 168755979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).