7-tert-butyl-1-methyl-1,7-diazaspiro[3.5]nonane

C12H24N2 — CID 58315302

IUPAC7-tert-butyl-1-methyl-1,7-diazaspiro[3.5]nonane
SMILESCN1CCC12CCN(C(C)(C)C)CC2
InChIInChI=1S/C12H24N2/c1-11(2,3)14-9-6-12(7-10-14)5-8-13(12)4/h5-10H2,1-4H3
InChIKeyOXHXUBXRUDYUSY-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.96
Rot. Bonds

About 7-tert-butyl-1-methyl-1,7-diazaspiro[3.5]nonane

7-tert-butyl-1-methyl-1,7-diazaspiro[3.5]nonane (PubChem CID 58315302) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 7-tert-butyl-1-methyl-1,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name7-tert-butyl-1-methyl-1,7-diazaspiro[3.5]nonane
PubChem CID58315302
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name7-tert-butyl-1-methyl-1,7-diazaspiro[3.5]nonane
SMILESCN1CCC12CCN(C(C)(C)C)CC2
InChIInChI=1S/C12H24N2/c1-11(2,3)14-9-6-12(7-10-14)5-8-13(12)4/h5-10H2,1-4H3
InChIKeyOXHXUBXRUDYUSY-UHFFFAOYSA-N
XLogP1.96
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-1-methyl-1,7-diazaspiro[3.5]nonane?
The IUPAC name of 7-tert-butyl-1-methyl-1,7-diazaspiro[3.5]nonane (CID 58315302) is 7-tert-butyl-1-methyl-1,7-diazaspiro[3.5]nonane.
What is the SMILES notation for 7-tert-butyl-1-methyl-1,7-diazaspiro[3.5]nonane?
The canonical SMILES for 7-tert-butyl-1-methyl-1,7-diazaspiro[3.5]nonane is CN1CCC12CCN(C(C)(C)C)CC2.
What is the InChIKey of 7-tert-butyl-1-methyl-1,7-diazaspiro[3.5]nonane?
The InChIKey is OXHXUBXRUDYUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-11(2,3)14-9-6-12(7-10-14)5-8-13(12)4/h5-10H2,1-4H3.
What are the key properties of 7-tert-butyl-1-methyl-1,7-diazaspiro[3.5]nonane?
7-tert-butyl-1-methyl-1,7-diazaspiro[3.5]nonane has a molecular weight of 196.34 g/mol, XLogP of 1.96, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-1-methyl-1,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 58315302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).