7-tert-butyl-3-(2-cyclohexylpropyl)-7-azaspiro[3.5]nonane

C21H39N — CID 129146454

IUPAC7-tert-butyl-3-(2-cyclohexylpropyl)-7-azaspiro[3.5]nonane
SMILESCC(CC1CCC12CCN(C(C)(C)C)CC2)C1CCCCC1
InChIInChI=1S/C21H39N/c1-17(18-8-6-5-7-9-18)16-19-10-11-21(19)12-14-22(15-13-21)20(2,3)4/h17-19H,5-16H2,1-4H3
InChIKeyFPSIFFLBQNBXGU-UHFFFAOYSA-N
MW305.55 g/mol
LogP5.88
Rot. Bonds3

About 7-tert-butyl-3-(2-cyclohexylpropyl)-7-azaspiro[3.5]nonane

7-tert-butyl-3-(2-cyclohexylpropyl)-7-azaspiro[3.5]nonane (PubChem CID 129146454) has the molecular formula C21H39N and a molecular weight of 305.55 g/mol. Its IUPAC name is 7-tert-butyl-3-(2-cyclohexylpropyl)-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Name7-tert-butyl-3-(2-cyclohexylpropyl)-7-azaspiro[3.5]nonane
PubChem CID129146454
Molecular FormulaC21H39N
Molecular Weight305.55 g/mol
Exact Mass305.31
IUPAC Name7-tert-butyl-3-(2-cyclohexylpropyl)-7-azaspiro[3.5]nonane
SMILESCC(CC1CCC12CCN(C(C)(C)C)CC2)C1CCCCC1
InChIInChI=1S/C21H39N/c1-17(18-8-6-5-7-9-18)16-19-10-11-21(19)12-14-22(15-13-21)20(2,3)4/h17-19H,5-16H2,1-4H3
InChIKeyFPSIFFLBQNBXGU-UHFFFAOYSA-N
XLogP5.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.55
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-3-(2-cyclohexylpropyl)-7-azaspiro[3.5]nonane?
The IUPAC name of 7-tert-butyl-3-(2-cyclohexylpropyl)-7-azaspiro[3.5]nonane (CID 129146454) is 7-tert-butyl-3-(2-cyclohexylpropyl)-7-azaspiro[3.5]nonane.
What is the SMILES notation for 7-tert-butyl-3-(2-cyclohexylpropyl)-7-azaspiro[3.5]nonane?
The canonical SMILES for 7-tert-butyl-3-(2-cyclohexylpropyl)-7-azaspiro[3.5]nonane is CC(CC1CCC12CCN(C(C)(C)C)CC2)C1CCCCC1.
What is the InChIKey of 7-tert-butyl-3-(2-cyclohexylpropyl)-7-azaspiro[3.5]nonane?
The InChIKey is FPSIFFLBQNBXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39N/c1-17(18-8-6-5-7-9-18)16-19-10-11-21(19)12-14-22(15-13-21)20(2,3)4/h17-19H,5-16H2,1-4H3.
What are the key properties of 7-tert-butyl-3-(2-cyclohexylpropyl)-7-azaspiro[3.5]nonane?
7-tert-butyl-3-(2-cyclohexylpropyl)-7-azaspiro[3.5]nonane has a molecular weight of 305.55 g/mol, XLogP of 5.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-3-(2-cyclohexylpropyl)-7-azaspiro[3.5]nonane is sourced from PubChem (CID 129146454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).