8-tert-butyl-2-methyl-2,8-diazaspiro[4.5]decane;(1R,4R)-5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;(1S,4S)-5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;(5R)-3-tert-butyl-8-oxa-3-azabicyclo[3.2.1]octane;1-tert-butyl-6-oxa-1-azaspiro[3.3]heptane;7-tert-butyl-2-oxa-7-azaspiro[3.5]nonane;7-methyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane

C72H139N9O5 — CID 163514745

IUPAC8-tert-butyl-2-methyl-2,8-diazaspiro[4.5]decane;(1R,4R)-5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;(1S,4S)-5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;(5R)-3-tert-butyl-8-oxa-3-azabicyclo[3.2.1]octane;1-tert-butyl-6-oxa-1-azaspiro[3.3]heptane;7-tert-butyl-2-oxa-7-azaspiro[3.5]nonane;7-methyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane
SMILESCC(C)(C)N1CC2CC[C@H](C1)O2.CC(C)(C)N1CCC12COC2.CC(C)(C)N1CCC2(CC1)COC2.CC(C)(C)N1C[C@@H]2C[C@H]1CO2.CC(C)(C)N1C[C@H]2C[C@@H]1CO2.CC(C)N1CCC2(CCN(C)C2)C1.CN1CCC2(CCN(C(C)(C)C)CC2)C1
InChIInChI=1S/C13H26N2.C11H22N2.C11H21NO.C10H19NO.3C9H17NO/c1-12(2,3)15-9-6-13(7-10-15)5-8-14(4)11-13;1-10(2)13-7-5-11(9-13)4-6-12(3)8-11;1-10(2,3)12-6-4-11(5-7-12)8-13-9-11;1-10(2,3)11-6-8-4-5-9(7-11)12-8;2*1-9(2,3)10-5-8-4-7(10)6-11-8;1-8(2,3)10-5-4-9(10)6-11-7-9/h5-11H2,1-4H3;10H,4-9H2,1-3H3;4-9H2,1-3H3;8-9H,4-7H2,1-3H3;2*7-8H,4-6H2,1-3H3;4-7H2,1-3H3/t;;;8-,9?;2*7-,8-;/m...110./s1
InChIKeyDFSJUCOJFDYXTM-ZKRVCBLOSA-N
MW1210.96 g/mol
LogP10.95
Rot. Bonds1

About 8-tert-butyl-2-methyl-2,8-diazaspiro[4.5]decane;(1R,4R)-5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;(1S,4S)-5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;(5R)-3-tert-butyl-8-oxa-3-azabicyclo[3.2.1]octane;1-tert-butyl-6-oxa-1-azaspiro[3.3]heptane;7-tert-butyl-2-oxa-7-azaspiro[3.5]nonane;7-methyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane

8-tert-butyl-2-methyl-2,8-diazaspiro[4.5]decane;(1R,4R)-5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;(1S,4S)-5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;(5R)-3-tert-butyl-8-oxa-3-azabicyclo[3.2.1]octane;1-tert-butyl-6-oxa-1-azaspiro[3.3]heptane;7-tert-butyl-2-oxa-7-azaspiro[3.5]nonane;7-methyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane (PubChem CID 163514745) has the molecular formula C72H139N9O5 and a molecular weight of 1210.96 g/mol. Its IUPAC name is 8-tert-butyl-2-methyl-2,8-diazaspiro[4.5]decane;(1R,4R)-5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;(1S,4S)-5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;(5R)-3-tert-butyl-8-oxa-3-azabicyclo[3.2.1]octane;1-tert-butyl-6-oxa-1-azaspiro[3.3]heptane;7-tert-butyl-2-oxa-7-azaspiro[3.5]nonane;7-methyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane.

Molecular Properties

Compound Name8-tert-butyl-2-methyl-2,8-diazaspiro[4.5]decane;(1R,4R)-5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;(1S,4S)-5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;(5R)-3-tert-butyl-8-oxa-3-azabicyclo[3.2.1]octane;1-tert-butyl-6-oxa-1-azaspiro[3.3]heptane;7-tert-butyl-2-oxa-7-azaspiro[3.5]nonane;7-methyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane
PubChem CID163514745
Molecular FormulaC72H139N9O5
Molecular Weight1210.96 g/mol
Exact Mass1210.09
IUPAC Name8-tert-butyl-2-methyl-2,8-diazaspiro[4.5]decane;(1R,4R)-5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;(1S,4S)-5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;(5R)-3-tert-butyl-8-oxa-3-azabicyclo[3.2.1]octane;1-tert-butyl-6-oxa-1-azaspiro[3.3]heptane;7-tert-butyl-2-oxa-7-azaspiro[3.5]nonane;7-methyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane
SMILESCC(C)(C)N1CC2CC[C@H](C1)O2.CC(C)(C)N1CCC12COC2.CC(C)(C)N1CCC2(CC1)COC2.CC(C)(C)N1C[C@@H]2C[C@H]1CO2.CC(C)(C)N1C[C@H]2C[C@@H]1CO2.CC(C)N1CCC2(CCN(C)C2)C1.CN1CCC2(CCN(C(C)(C)C)CC2)C1
InChIInChI=1S/C13H26N2.C11H22N2.C11H21NO.C10H19NO.3C9H17NO/c1-12(2,3)15-9-6-13(7-10-15)5-8-14(4)11-13;1-10(2)13-7-5-11(9-13)4-6-12(3)8-11;1-10(2,3)12-6-4-11(5-7-12)8-13-9-11;1-10(2,3)11-6-8-4-5-9(7-11)12-8;2*1-9(2,3)10-5-8-4-7(10)6-11-8;1-8(2,3)10-5-4-9(10)6-11-7-9/h5-11H2,1-4H3;10H,4-9H2,1-3H3;4-9H2,1-3H3;8-9H,4-7H2,1-3H3;2*7-8H,4-6H2,1-3H3;4-7H2,1-3H3/t;;;8-,9?;2*7-,8-;/m...110./s1
InChIKeyDFSJUCOJFDYXTM-ZKRVCBLOSA-N
XLogP10.95
TPSA75.31 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds1
Heavy Atoms86
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001210.96
LogP ≤ 510.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 8-tert-butyl-2-methyl-2,8-diazaspiro[4.5]decane;(1R,4R)-5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;(1S,4S)-5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;(5R)-3-tert-butyl-8-oxa-3-azabicyclo[3.2.1]octane;1-tert-butyl-6-oxa-1-azaspiro[3.3]heptane;7-tert-butyl-2-oxa-7-azaspiro[3.5]nonane;7-methyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-2-methyl-2,8-diazaspiro[4.5]decane;(1R,4R)-5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;(1S,4S)-5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;(5R)-3-tert-butyl-8-oxa-3-azabicyclo[3.2.1]octane;1-tert-butyl-6-oxa-1-azaspiro[3.3]heptane;7-tert-butyl-2-oxa-7-azaspiro[3.5]nonane;7-methyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane?
The IUPAC name of 8-tert-butyl-2-methyl-2,8-diazaspiro[4.5]decane;(1R,4R)-5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;(1S,4S)-5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;(5R)-3-tert-butyl-8-oxa-3-azabicyclo[3.2.1]octane;1-tert-butyl-6-oxa-1-azaspiro[3.3]heptane;7-tert-butyl-2-oxa-7-azaspiro[3.5]nonane;7-methyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane (CID 163514745) is 8-tert-butyl-2-methyl-2,8-diazaspiro[4.5]decane;(1R,4R)-5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;(1S,4S)-5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;(5R)-3-tert-butyl-8-oxa-3-azabicyclo[3.2.1]octane;1-tert-butyl-6-oxa-1-azaspiro[3.3]heptane;7-tert-butyl-2-oxa-7-azaspiro[3.5]nonane;7-methyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane.
What is the SMILES notation for 8-tert-butyl-2-methyl-2,8-diazaspiro[4.5]decane;(1R,4R)-5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;(1S,4S)-5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;(5R)-3-tert-butyl-8-oxa-3-azabicyclo[3.2.1]octane;1-tert-butyl-6-oxa-1-azaspiro[3.3]heptane;7-tert-butyl-2-oxa-7-azaspiro[3.5]nonane;7-methyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane?
The canonical SMILES for 8-tert-butyl-2-methyl-2,8-diazaspiro[4.5]decane;(1R,4R)-5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;(1S,4S)-5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;(5R)-3-tert-butyl-8-oxa-3-azabicyclo[3.2.1]octane;1-tert-butyl-6-oxa-1-azaspiro[3.3]heptane;7-tert-butyl-2-oxa-7-azaspiro[3.5]nonane;7-methyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane is CC(C)(C)N1CC2CC[C@H](C1)O2.CC(C)(C)N1CCC12COC2.CC(C)(C)N1CCC2(CC1)COC2.CC(C)(C)N1C[C@@H]2C[C@H]1CO2.CC(C)(C)N1C[C@H]2C[C@@H]1CO2.CC(C)N1CCC2(CCN(C)C2)C1.CN1CCC2(CCN(C(C)(C)C)CC2)C1.
What is the InChIKey of 8-tert-butyl-2-methyl-2,8-diazaspiro[4.5]decane;(1R,4R)-5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;(1S,4S)-5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;(5R)-3-tert-butyl-8-oxa-3-azabicyclo[3.2.1]octane;1-tert-butyl-6-oxa-1-azaspiro[3.3]heptane;7-tert-butyl-2-oxa-7-azaspiro[3.5]nonane;7-methyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane?
The InChIKey is DFSJUCOJFDYXTM-ZKRVCBLOSA-N. The full InChI is InChI=1S/C13H26N2.C11H22N2.C11H21NO.C10H19NO.3C9H17NO/c1-12(2,3)15-9-6-13(7-10-15)5-8-14(4)11-13;1-10(2)13-7-5-11(9-13)4-6-12(3)8-11;1-10(2,3)12-6-4-11(5-7-12)8-13-9-11;1-10(2,3)11-6-8-4-5-9(7-11)12-8;2*1-9(2,3)10-5-8-4-7(10)6-11-8;1-8(2,3)10-5-4-9(10)6-11-7-9/h5-11H2,1-4H3;10H,4-9H2,1-3H3;4-9H2,1-3H3;8-9H,4-7H2,1-3H3;2*7-8H,4-6H2,1-3H3;4-7H2,1-3H3/t;;;8-,9?;2*7-,8-;/m...110./s1.
What are the key properties of 8-tert-butyl-2-methyl-2,8-diazaspiro[4.5]decane;(1R,4R)-5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;(1S,4S)-5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;(5R)-3-tert-butyl-8-oxa-3-azabicyclo[3.2.1]octane;1-tert-butyl-6-oxa-1-azaspiro[3.3]heptane;7-tert-butyl-2-oxa-7-azaspiro[3.5]nonane;7-methyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane?
8-tert-butyl-2-methyl-2,8-diazaspiro[4.5]decane;(1R,4R)-5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;(1S,4S)-5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;(5R)-3-tert-butyl-8-oxa-3-azabicyclo[3.2.1]octane;1-tert-butyl-6-oxa-1-azaspiro[3.3]heptane;7-tert-butyl-2-oxa-7-azaspiro[3.5]nonane;7-methyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane has a molecular weight of 1210.96 g/mol, XLogP of 10.95, 1 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-2-methyl-2,8-diazaspiro[4.5]decane;(1R,4R)-5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;(1S,4S)-5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;(5R)-3-tert-butyl-8-oxa-3-azabicyclo[3.2.1]octane;1-tert-butyl-6-oxa-1-azaspiro[3.3]heptane;7-tert-butyl-2-oxa-7-azaspiro[3.5]nonane;7-methyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane is sourced from PubChem (CID 163514745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).