2-cyclohexyl-6-(2,2-dimethylpropyl)-2-azaspiro[3.3]heptane

C17H31N — CID 158091515

IUPAC2-cyclohexyl-6-(2,2-dimethylpropyl)-2-azaspiro[3.3]heptane
SMILESCC(C)(C)CC1CC2(C1)CN(C1CCCCC1)C2
InChIInChI=1S/C17H31N/c1-16(2,3)9-14-10-17(11-14)12-18(13-17)15-7-5-4-6-8-15/h14-15H,4-13H2,1-3H3
InChIKeyPOJLFHXVQBDJAJ-UHFFFAOYSA-N
MW249.44 g/mol
LogP4.47
Rot. Bonds2

About 2-cyclohexyl-6-(2,2-dimethylpropyl)-2-azaspiro[3.3]heptane

2-cyclohexyl-6-(2,2-dimethylpropyl)-2-azaspiro[3.3]heptane (PubChem CID 158091515) has the molecular formula C17H31N and a molecular weight of 249.44 g/mol. Its IUPAC name is 2-cyclohexyl-6-(2,2-dimethylpropyl)-2-azaspiro[3.3]heptane.

Molecular Properties

Compound Name2-cyclohexyl-6-(2,2-dimethylpropyl)-2-azaspiro[3.3]heptane
PubChem CID158091515
Molecular FormulaC17H31N
Molecular Weight249.44 g/mol
Exact Mass249.25
IUPAC Name2-cyclohexyl-6-(2,2-dimethylpropyl)-2-azaspiro[3.3]heptane
SMILESCC(C)(C)CC1CC2(C1)CN(C1CCCCC1)C2
InChIInChI=1S/C17H31N/c1-16(2,3)9-14-10-17(11-14)12-18(13-17)15-7-5-4-6-8-15/h14-15H,4-13H2,1-3H3
InChIKeyPOJLFHXVQBDJAJ-UHFFFAOYSA-N
XLogP4.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.44
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-6-(2,2-dimethylpropyl)-2-azaspiro[3.3]heptane?
The IUPAC name of 2-cyclohexyl-6-(2,2-dimethylpropyl)-2-azaspiro[3.3]heptane (CID 158091515) is 2-cyclohexyl-6-(2,2-dimethylpropyl)-2-azaspiro[3.3]heptane.
What is the SMILES notation for 2-cyclohexyl-6-(2,2-dimethylpropyl)-2-azaspiro[3.3]heptane?
The canonical SMILES for 2-cyclohexyl-6-(2,2-dimethylpropyl)-2-azaspiro[3.3]heptane is CC(C)(C)CC1CC2(C1)CN(C1CCCCC1)C2.
What is the InChIKey of 2-cyclohexyl-6-(2,2-dimethylpropyl)-2-azaspiro[3.3]heptane?
The InChIKey is POJLFHXVQBDJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N/c1-16(2,3)9-14-10-17(11-14)12-18(13-17)15-7-5-4-6-8-15/h14-15H,4-13H2,1-3H3.
What are the key properties of 2-cyclohexyl-6-(2,2-dimethylpropyl)-2-azaspiro[3.3]heptane?
2-cyclohexyl-6-(2,2-dimethylpropyl)-2-azaspiro[3.3]heptane has a molecular weight of 249.44 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-6-(2,2-dimethylpropyl)-2-azaspiro[3.3]heptane is sourced from PubChem (CID 158091515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).