8-tert-butyl-8-azaspiro[4.5]decane;3-tert-butyl-3-azaspiro[5.5]undecane;1-tert-butylcycloheptene;1-tert-butylcyclohexene;1-tert-butyl-4,4-diethylcyclohexene;1-tert-butyl-4,4-dimethylcyclohexene;1-tert-butyl-4,4-dimethylpiperidine;1-tert-butyl-4-ethylpiperidine;1-tert-butyl-4-methylpiperidine;1-tert-butylpiperidine;1-tert-butyl-4-propylpiperidine;8-tert-butylspiro[4.5]dec-8-ene;6-tert-butylspiro[2.5]oct-6-ene;3-tert-butylspiro[5.5]undec-3-ene;methane

C173H339N7 — CID 158370181

IUPAC8-tert-butyl-8-azaspiro[4.5]decane;3-tert-butyl-3-azaspiro[5.5]undecane;1-tert-butylcycloheptene;1-tert-butylcyclohexene;1-tert-butyl-4,4-diethylcyclohexene;1-tert-butyl-4,4-dimethylcyclohexene;1-tert-butyl-4,4-dimethylpiperidine;1-tert-butyl-4-ethylpiperidine;1-tert-butyl-4-methylpiperidine;1-tert-butylpiperidine;1-tert-butyl-4-propylpiperidine;8-tert-butylspiro[4.5]dec-8-ene;6-tert-butylspiro[2.5]oct-6-ene;3-tert-butylspiro[5.5]undec-3-ene;methane
SMILESC.C.C.C.C.CC(C)(C)C1=CCC2(CC1)CC2.CC(C)(C)C1=CCC2(CCCC2)CC1.CC(C)(C)C1=CCC2(CCCCC2)CC1.CC(C)(C)C1=CCCCC1.CC(C)(C)C1=CCCCCC1.CC(C)(C)N1CCC2(CCCC2)CC1.CC(C)(C)N1CCC2(CCCCC2)CC1.CC(C)(C)N1CCCCC1.CC1(C)CC=C(C(C)(C)C)CC1.CC1(C)CCN(C(C)(C)C)CC1.CC1CCN(C(C)(C)C)CC1.CCC1(CC)CC=C(C(C)(C)C)CC1.CCC1CCN(C(C)(C)C)CC1.CCCC1CCN(C(C)(C)C)CC1
InChIInChI=1S/C15H26.C14H27N.C14H24.C14H26.C13H25N.C12H25N.C12H20.C12H22.2C11H23N.C11H20.C10H21N.C10H18.C9H19N.5CH4/c1-14(2,3)13-7-11-15(12-8-13)9-5-4-6-10-15;1-13(2,3)15-11-9-14(10-12-15)7-5-4-6-8-14;1-13(2,3)12-6-10-14(11-7-12)8-4-5-9-14;1-6-14(7-2)10-8-12(9-11-14)13(3,4)5;1-12(2,3)14-10-8-13(9-11-14)6-4-5-7-13;1-5-6-11-7-9-13(10-8-11)12(2,3)4;1-11(2,3)10-4-6-12(7-5-10)8-9-12;1-11(2,3)10-6-8-12(4,5)9-7-10;1-10(2,3)12-8-6-11(4,5)7-9-12;1-5-10-6-8-12(9-7-10)11(2,3)4;1-11(2,3)10-8-6-4-5-7-9-10;1-9-5-7-11(8-6-9)10(2,3)4;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)10-7-5-4-6-8-10;;;;;/h7H,4-6,8-12H2,1-3H3;4-12H2,1-3H3;6H,4-5,7-11H2,1-3H3;8H,6-7,9-11H2,1-5H3;4-11H2,1-3H3;11H,5-10H2,1-4H3;4H,5-9H2,1-3H3;6H,7-9H2,1-5H3;6-9H2,1-5H3;10H,5-9H2,1-4H3;8H,4-7,9H2,1-3H3;9H,5-8H2,1-4H3;7H,4-6,8H2,1-3H3;4-8H2,1-3H3;5*1H4
InChIKeyGUNBOBJWQOPIGQ-UHFFFAOYSA-N
MW2517.66 g/mol
LogP54.64
Rot. Bonds5

About 8-tert-butyl-8-azaspiro[4.5]decane;3-tert-butyl-3-azaspiro[5.5]undecane;1-tert-butylcycloheptene;1-tert-butylcyclohexene;1-tert-butyl-4,4-diethylcyclohexene;1-tert-butyl-4,4-dimethylcyclohexene;1-tert-butyl-4,4-dimethylpiperidine;1-tert-butyl-4-ethylpiperidine;1-tert-butyl-4-methylpiperidine;1-tert-butylpiperidine;1-tert-butyl-4-propylpiperidine;8-tert-butylspiro[4.5]dec-8-ene;6-tert-butylspiro[2.5]oct-6-ene;3-tert-butylspiro[5.5]undec-3-ene;methane

8-tert-butyl-8-azaspiro[4.5]decane;3-tert-butyl-3-azaspiro[5.5]undecane;1-tert-butylcycloheptene;1-tert-butylcyclohexene;1-tert-butyl-4,4-diethylcyclohexene;1-tert-butyl-4,4-dimethylcyclohexene;1-tert-butyl-4,4-dimethylpiperidine;1-tert-butyl-4-ethylpiperidine;1-tert-butyl-4-methylpiperidine;1-tert-butylpiperidine;1-tert-butyl-4-propylpiperidine;8-tert-butylspiro[4.5]dec-8-ene;6-tert-butylspiro[2.5]oct-6-ene;3-tert-butylspiro[5.5]undec-3-ene;methane (PubChem CID 158370181) has the molecular formula C173H339N7 and a molecular weight of 2517.66 g/mol. Its IUPAC name is 8-tert-butyl-8-azaspiro[4.5]decane;3-tert-butyl-3-azaspiro[5.5]undecane;1-tert-butylcycloheptene;1-tert-butylcyclohexene;1-tert-butyl-4,4-diethylcyclohexene;1-tert-butyl-4,4-dimethylcyclohexene;1-tert-butyl-4,4-dimethylpiperidine;1-tert-butyl-4-ethylpiperidine;1-tert-butyl-4-methylpiperidine;1-tert-butylpiperidine;1-tert-butyl-4-propylpiperidine;8-tert-butylspiro[4.5]dec-8-ene;6-tert-butylspiro[2.5]oct-6-ene;3-tert-butylspiro[5.5]undec-3-ene;methane.

Molecular Properties

Compound Name8-tert-butyl-8-azaspiro[4.5]decane;3-tert-butyl-3-azaspiro[5.5]undecane;1-tert-butylcycloheptene;1-tert-butylcyclohexene;1-tert-butyl-4,4-diethylcyclohexene;1-tert-butyl-4,4-dimethylcyclohexene;1-tert-butyl-4,4-dimethylpiperidine;1-tert-butyl-4-ethylpiperidine;1-tert-butyl-4-methylpiperidine;1-tert-butylpiperidine;1-tert-butyl-4-propylpiperidine;8-tert-butylspiro[4.5]dec-8-ene;6-tert-butylspiro[2.5]oct-6-ene;3-tert-butylspiro[5.5]undec-3-ene;methane
PubChem CID158370181
Molecular FormulaC173H339N7
Molecular Weight2517.66 g/mol
Exact Mass2515.67
IUPAC Name8-tert-butyl-8-azaspiro[4.5]decane;3-tert-butyl-3-azaspiro[5.5]undecane;1-tert-butylcycloheptene;1-tert-butylcyclohexene;1-tert-butyl-4,4-diethylcyclohexene;1-tert-butyl-4,4-dimethylcyclohexene;1-tert-butyl-4,4-dimethylpiperidine;1-tert-butyl-4-ethylpiperidine;1-tert-butyl-4-methylpiperidine;1-tert-butylpiperidine;1-tert-butyl-4-propylpiperidine;8-tert-butylspiro[4.5]dec-8-ene;6-tert-butylspiro[2.5]oct-6-ene;3-tert-butylspiro[5.5]undec-3-ene;methane
SMILESC.C.C.C.C.CC(C)(C)C1=CCC2(CC1)CC2.CC(C)(C)C1=CCC2(CCCC2)CC1.CC(C)(C)C1=CCC2(CCCCC2)CC1.CC(C)(C)C1=CCCCC1.CC(C)(C)C1=CCCCCC1.CC(C)(C)N1CCC2(CCCC2)CC1.CC(C)(C)N1CCC2(CCCCC2)CC1.CC(C)(C)N1CCCCC1.CC1(C)CC=C(C(C)(C)C)CC1.CC1(C)CCN(C(C)(C)C)CC1.CC1CCN(C(C)(C)C)CC1.CCC1(CC)CC=C(C(C)(C)C)CC1.CCC1CCN(C(C)(C)C)CC1.CCCC1CCN(C(C)(C)C)CC1
InChIInChI=1S/C15H26.C14H27N.C14H24.C14H26.C13H25N.C12H25N.C12H20.C12H22.2C11H23N.C11H20.C10H21N.C10H18.C9H19N.5CH4/c1-14(2,3)13-7-11-15(12-8-13)9-5-4-6-10-15;1-13(2,3)15-11-9-14(10-12-15)7-5-4-6-8-14;1-13(2,3)12-6-10-14(11-7-12)8-4-5-9-14;1-6-14(7-2)10-8-12(9-11-14)13(3,4)5;1-12(2,3)14-10-8-13(9-11-14)6-4-5-7-13;1-5-6-11-7-9-13(10-8-11)12(2,3)4;1-11(2,3)10-4-6-12(7-5-10)8-9-12;1-11(2,3)10-6-8-12(4,5)9-7-10;1-10(2,3)12-8-6-11(4,5)7-9-12;1-5-10-6-8-12(9-7-10)11(2,3)4;1-11(2,3)10-8-6-4-5-7-9-10;1-9-5-7-11(8-6-9)10(2,3)4;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)10-7-5-4-6-8-10;;;;;/h7H,4-6,8-12H2,1-3H3;4-12H2,1-3H3;6H,4-5,7-11H2,1-3H3;8H,6-7,9-11H2,1-5H3;4-11H2,1-3H3;11H,5-10H2,1-4H3;4H,5-9H2,1-3H3;6H,7-9H2,1-5H3;6-9H2,1-5H3;10H,5-9H2,1-4H3;8H,4-7,9H2,1-3H3;9H,5-8H2,1-4H3;7H,4-6,8H2,1-3H3;4-8H2,1-3H3;5*1H4
InChIKeyGUNBOBJWQOPIGQ-UHFFFAOYSA-N
XLogP54.64
TPSA22.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms180
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002517.66
LogP ≤ 554.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 8-tert-butyl-8-azaspiro[4.5]decane;3-tert-butyl-3-azaspiro[5.5]undecane;1-tert-butylcycloheptene;1-tert-butylcyclohexene;1-tert-butyl-4,4-diethylcyclohexene;1-tert-butyl-4,4-dimethylcyclohexene;1-tert-butyl-4,4-dimethylpiperidine;1-tert-butyl-4-ethylpiperidine;1-tert-butyl-4-methylpiperidine;1-tert-butylpiperidine;1-tert-butyl-4-propylpiperidine;8-tert-butylspiro[4.5]dec-8-ene;6-tert-butylspiro[2.5]oct-6-ene;3-tert-butylspiro[5.5]undec-3-ene;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-8-azaspiro[4.5]decane;3-tert-butyl-3-azaspiro[5.5]undecane;1-tert-butylcycloheptene;1-tert-butylcyclohexene;1-tert-butyl-4,4-diethylcyclohexene;1-tert-butyl-4,4-dimethylcyclohexene;1-tert-butyl-4,4-dimethylpiperidine;1-tert-butyl-4-ethylpiperidine;1-tert-butyl-4-methylpiperidine;1-tert-butylpiperidine;1-tert-butyl-4-propylpiperidine;8-tert-butylspiro[4.5]dec-8-ene;6-tert-butylspiro[2.5]oct-6-ene;3-tert-butylspiro[5.5]undec-3-ene;methane?
The IUPAC name of 8-tert-butyl-8-azaspiro[4.5]decane;3-tert-butyl-3-azaspiro[5.5]undecane;1-tert-butylcycloheptene;1-tert-butylcyclohexene;1-tert-butyl-4,4-diethylcyclohexene;1-tert-butyl-4,4-dimethylcyclohexene;1-tert-butyl-4,4-dimethylpiperidine;1-tert-butyl-4-ethylpiperidine;1-tert-butyl-4-methylpiperidine;1-tert-butylpiperidine;1-tert-butyl-4-propylpiperidine;8-tert-butylspiro[4.5]dec-8-ene;6-tert-butylspiro[2.5]oct-6-ene;3-tert-butylspiro[5.5]undec-3-ene;methane (CID 158370181) is 8-tert-butyl-8-azaspiro[4.5]decane;3-tert-butyl-3-azaspiro[5.5]undecane;1-tert-butylcycloheptene;1-tert-butylcyclohexene;1-tert-butyl-4,4-diethylcyclohexene;1-tert-butyl-4,4-dimethylcyclohexene;1-tert-butyl-4,4-dimethylpiperidine;1-tert-butyl-4-ethylpiperidine;1-tert-butyl-4-methylpiperidine;1-tert-butylpiperidine;1-tert-butyl-4-propylpiperidine;8-tert-butylspiro[4.5]dec-8-ene;6-tert-butylspiro[2.5]oct-6-ene;3-tert-butylspiro[5.5]undec-3-ene;methane.
What is the SMILES notation for 8-tert-butyl-8-azaspiro[4.5]decane;3-tert-butyl-3-azaspiro[5.5]undecane;1-tert-butylcycloheptene;1-tert-butylcyclohexene;1-tert-butyl-4,4-diethylcyclohexene;1-tert-butyl-4,4-dimethylcyclohexene;1-tert-butyl-4,4-dimethylpiperidine;1-tert-butyl-4-ethylpiperidine;1-tert-butyl-4-methylpiperidine;1-tert-butylpiperidine;1-tert-butyl-4-propylpiperidine;8-tert-butylspiro[4.5]dec-8-ene;6-tert-butylspiro[2.5]oct-6-ene;3-tert-butylspiro[5.5]undec-3-ene;methane?
The canonical SMILES for 8-tert-butyl-8-azaspiro[4.5]decane;3-tert-butyl-3-azaspiro[5.5]undecane;1-tert-butylcycloheptene;1-tert-butylcyclohexene;1-tert-butyl-4,4-diethylcyclohexene;1-tert-butyl-4,4-dimethylcyclohexene;1-tert-butyl-4,4-dimethylpiperidine;1-tert-butyl-4-ethylpiperidine;1-tert-butyl-4-methylpiperidine;1-tert-butylpiperidine;1-tert-butyl-4-propylpiperidine;8-tert-butylspiro[4.5]dec-8-ene;6-tert-butylspiro[2.5]oct-6-ene;3-tert-butylspiro[5.5]undec-3-ene;methane is C.C.C.C.C.CC(C)(C)C1=CCC2(CC1)CC2.CC(C)(C)C1=CCC2(CCCC2)CC1.CC(C)(C)C1=CCC2(CCCCC2)CC1.CC(C)(C)C1=CCCCC1.CC(C)(C)C1=CCCCCC1.CC(C)(C)N1CCC2(CCCC2)CC1.CC(C)(C)N1CCC2(CCCCC2)CC1.CC(C)(C)N1CCCCC1.CC1(C)CC=C(C(C)(C)C)CC1.CC1(C)CCN(C(C)(C)C)CC1.CC1CCN(C(C)(C)C)CC1.CCC1(CC)CC=C(C(C)(C)C)CC1.CCC1CCN(C(C)(C)C)CC1.CCCC1CCN(C(C)(C)C)CC1.
What is the InChIKey of 8-tert-butyl-8-azaspiro[4.5]decane;3-tert-butyl-3-azaspiro[5.5]undecane;1-tert-butylcycloheptene;1-tert-butylcyclohexene;1-tert-butyl-4,4-diethylcyclohexene;1-tert-butyl-4,4-dimethylcyclohexene;1-tert-butyl-4,4-dimethylpiperidine;1-tert-butyl-4-ethylpiperidine;1-tert-butyl-4-methylpiperidine;1-tert-butylpiperidine;1-tert-butyl-4-propylpiperidine;8-tert-butylspiro[4.5]dec-8-ene;6-tert-butylspiro[2.5]oct-6-ene;3-tert-butylspiro[5.5]undec-3-ene;methane?
The InChIKey is GUNBOBJWQOPIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26.C14H27N.C14H24.C14H26.C13H25N.C12H25N.C12H20.C12H22.2C11H23N.C11H20.C10H21N.C10H18.C9H19N.5CH4/c1-14(2,3)13-7-11-15(12-8-13)9-5-4-6-10-15;1-13(2,3)15-11-9-14(10-12-15)7-5-4-6-8-14;1-13(2,3)12-6-10-14(11-7-12)8-4-5-9-14;1-6-14(7-2)10-8-12(9-11-14)13(3,4)5;1-12(2,3)14-10-8-13(9-11-14)6-4-5-7-13;1-5-6-11-7-9-13(10-8-11)12(2,3)4;1-11(2,3)10-4-6-12(7-5-10)8-9-12;1-11(2,3)10-6-8-12(4,5)9-7-10;1-10(2,3)12-8-6-11(4,5)7-9-12;1-5-10-6-8-12(9-7-10)11(2,3)4;1-11(2,3)10-8-6-4-5-7-9-10;1-9-5-7-11(8-6-9)10(2,3)4;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)10-7-5-4-6-8-10;;;;;/h7H,4-6,8-12H2,1-3H3;4-12H2,1-3H3;6H,4-5,7-11H2,1-3H3;8H,6-7,9-11H2,1-5H3;4-11H2,1-3H3;11H,5-10H2,1-4H3;4H,5-9H2,1-3H3;6H,7-9H2,1-5H3;6-9H2,1-5H3;10H,5-9H2,1-4H3;8H,4-7,9H2,1-3H3;9H,5-8H2,1-4H3;7H,4-6,8H2,1-3H3;4-8H2,1-3H3;5*1H4.
What are the key properties of 8-tert-butyl-8-azaspiro[4.5]decane;3-tert-butyl-3-azaspiro[5.5]undecane;1-tert-butylcycloheptene;1-tert-butylcyclohexene;1-tert-butyl-4,4-diethylcyclohexene;1-tert-butyl-4,4-dimethylcyclohexene;1-tert-butyl-4,4-dimethylpiperidine;1-tert-butyl-4-ethylpiperidine;1-tert-butyl-4-methylpiperidine;1-tert-butylpiperidine;1-tert-butyl-4-propylpiperidine;8-tert-butylspiro[4.5]dec-8-ene;6-tert-butylspiro[2.5]oct-6-ene;3-tert-butylspiro[5.5]undec-3-ene;methane?
8-tert-butyl-8-azaspiro[4.5]decane;3-tert-butyl-3-azaspiro[5.5]undecane;1-tert-butylcycloheptene;1-tert-butylcyclohexene;1-tert-butyl-4,4-diethylcyclohexene;1-tert-butyl-4,4-dimethylcyclohexene;1-tert-butyl-4,4-dimethylpiperidine;1-tert-butyl-4-ethylpiperidine;1-tert-butyl-4-methylpiperidine;1-tert-butylpiperidine;1-tert-butyl-4-propylpiperidine;8-tert-butylspiro[4.5]dec-8-ene;6-tert-butylspiro[2.5]oct-6-ene;3-tert-butylspiro[5.5]undec-3-ene;methane has a molecular weight of 2517.66 g/mol, XLogP of 54.64, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-8-azaspiro[4.5]decane;3-tert-butyl-3-azaspiro[5.5]undecane;1-tert-butylcycloheptene;1-tert-butylcyclohexene;1-tert-butyl-4,4-diethylcyclohexene;1-tert-butyl-4,4-dimethylcyclohexene;1-tert-butyl-4,4-dimethylpiperidine;1-tert-butyl-4-ethylpiperidine;1-tert-butyl-4-methylpiperidine;1-tert-butylpiperidine;1-tert-butyl-4-propylpiperidine;8-tert-butylspiro[4.5]dec-8-ene;6-tert-butylspiro[2.5]oct-6-ene;3-tert-butylspiro[5.5]undec-3-ene;methane is sourced from PubChem (CID 158370181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).