2,8-dimethyl-2-azaspiro[4.5]decane;(3R)-3,8-dimethyl-8-azaspiro[4.5]decane;2,7-dimethyl-2-azaspiro[3.5]nonane;(6S)-2,6-dimethyl-2-azaspiro[3.4]octane;3,9-dimethyl-3-azaspiro[5.5]undecane

C53H101N5 — CID 158167987

IUPAC2,8-dimethyl-2-azaspiro[4.5]decane;(3R)-3,8-dimethyl-8-azaspiro[4.5]decane;2,7-dimethyl-2-azaspiro[3.5]nonane;(6S)-2,6-dimethyl-2-azaspiro[3.4]octane;3,9-dimethyl-3-azaspiro[5.5]undecane
SMILESCC1CCC2(CC1)CCN(C)C2.CC1CCC2(CC1)CCN(C)CC2.CC1CCC2(CC1)CN(C)C2.C[C@@H]1CCC2(CCN(C)CC2)C1.C[C@H]1CCC2(C1)CN(C)C2
InChIInChI=1S/C12H23N.2C11H21N.C10H19N.C9H17N/c1-11-3-5-12(6-4-11)7-9-13(2)10-8-12;1-10-3-5-11(6-4-10)7-8-12(2)9-11;1-10-3-4-11(9-10)5-7-12(2)8-6-11;1-9-3-5-10(6-4-9)7-11(2)8-10;1-8-3-4-9(5-8)6-10(2)7-9/h11H,3-10H2,1-2H3;2*10H,3-9H2,1-2H3;9H,3-8H2,1-2H3;8H,3-7H2,1-2H3/t;;10-;;8-/m..1.0/s1
InChIKeyFXBVEWVLKWDIDB-WSOMJDHNSA-N
MW808.43 g/mol
LogP11.81
Rot. Bonds

About 2,8-dimethyl-2-azaspiro[4.5]decane;(3R)-3,8-dimethyl-8-azaspiro[4.5]decane;2,7-dimethyl-2-azaspiro[3.5]nonane;(6S)-2,6-dimethyl-2-azaspiro[3.4]octane;3,9-dimethyl-3-azaspiro[5.5]undecane

2,8-dimethyl-2-azaspiro[4.5]decane;(3R)-3,8-dimethyl-8-azaspiro[4.5]decane;2,7-dimethyl-2-azaspiro[3.5]nonane;(6S)-2,6-dimethyl-2-azaspiro[3.4]octane;3,9-dimethyl-3-azaspiro[5.5]undecane (PubChem CID 158167987) has the molecular formula C53H101N5 and a molecular weight of 808.43 g/mol. Its IUPAC name is 2,8-dimethyl-2-azaspiro[4.5]decane;(3R)-3,8-dimethyl-8-azaspiro[4.5]decane;2,7-dimethyl-2-azaspiro[3.5]nonane;(6S)-2,6-dimethyl-2-azaspiro[3.4]octane;3,9-dimethyl-3-azaspiro[5.5]undecane.

Molecular Properties

Compound Name2,8-dimethyl-2-azaspiro[4.5]decane;(3R)-3,8-dimethyl-8-azaspiro[4.5]decane;2,7-dimethyl-2-azaspiro[3.5]nonane;(6S)-2,6-dimethyl-2-azaspiro[3.4]octane;3,9-dimethyl-3-azaspiro[5.5]undecane
PubChem CID158167987
Molecular FormulaC53H101N5
Molecular Weight808.43 g/mol
Exact Mass807.81
IUPAC Name2,8-dimethyl-2-azaspiro[4.5]decane;(3R)-3,8-dimethyl-8-azaspiro[4.5]decane;2,7-dimethyl-2-azaspiro[3.5]nonane;(6S)-2,6-dimethyl-2-azaspiro[3.4]octane;3,9-dimethyl-3-azaspiro[5.5]undecane
SMILESCC1CCC2(CC1)CCN(C)C2.CC1CCC2(CC1)CCN(C)CC2.CC1CCC2(CC1)CN(C)C2.C[C@@H]1CCC2(CCN(C)CC2)C1.C[C@H]1CCC2(C1)CN(C)C2
InChIInChI=1S/C12H23N.2C11H21N.C10H19N.C9H17N/c1-11-3-5-12(6-4-11)7-9-13(2)10-8-12;1-10-3-5-11(6-4-10)7-8-12(2)9-11;1-10-3-4-11(9-10)5-7-12(2)8-6-11;1-9-3-5-10(6-4-9)7-11(2)8-10;1-8-3-4-9(5-8)6-10(2)7-9/h11H,3-10H2,1-2H3;2*10H,3-9H2,1-2H3;9H,3-8H2,1-2H3;8H,3-7H2,1-2H3/t;;10-;;8-/m..1.0/s1
InChIKeyFXBVEWVLKWDIDB-WSOMJDHNSA-N
XLogP11.81
TPSA16.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500808.43
LogP ≤ 511.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2,8-dimethyl-2-azaspiro[4.5]decane;(3R)-3,8-dimethyl-8-azaspiro[4.5]decane;2,7-dimethyl-2-azaspiro[3.5]nonane;(6S)-2,6-dimethyl-2-azaspiro[3.4]octane;3,9-dimethyl-3-azaspiro[5.5]undecane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyl-2-azaspiro[4.5]decane;(3R)-3,8-dimethyl-8-azaspiro[4.5]decane;2,7-dimethyl-2-azaspiro[3.5]nonane;(6S)-2,6-dimethyl-2-azaspiro[3.4]octane;3,9-dimethyl-3-azaspiro[5.5]undecane?
The IUPAC name of 2,8-dimethyl-2-azaspiro[4.5]decane;(3R)-3,8-dimethyl-8-azaspiro[4.5]decane;2,7-dimethyl-2-azaspiro[3.5]nonane;(6S)-2,6-dimethyl-2-azaspiro[3.4]octane;3,9-dimethyl-3-azaspiro[5.5]undecane (CID 158167987) is 2,8-dimethyl-2-azaspiro[4.5]decane;(3R)-3,8-dimethyl-8-azaspiro[4.5]decane;2,7-dimethyl-2-azaspiro[3.5]nonane;(6S)-2,6-dimethyl-2-azaspiro[3.4]octane;3,9-dimethyl-3-azaspiro[5.5]undecane.
What is the SMILES notation for 2,8-dimethyl-2-azaspiro[4.5]decane;(3R)-3,8-dimethyl-8-azaspiro[4.5]decane;2,7-dimethyl-2-azaspiro[3.5]nonane;(6S)-2,6-dimethyl-2-azaspiro[3.4]octane;3,9-dimethyl-3-azaspiro[5.5]undecane?
The canonical SMILES for 2,8-dimethyl-2-azaspiro[4.5]decane;(3R)-3,8-dimethyl-8-azaspiro[4.5]decane;2,7-dimethyl-2-azaspiro[3.5]nonane;(6S)-2,6-dimethyl-2-azaspiro[3.4]octane;3,9-dimethyl-3-azaspiro[5.5]undecane is CC1CCC2(CC1)CCN(C)C2.CC1CCC2(CC1)CCN(C)CC2.CC1CCC2(CC1)CN(C)C2.C[C@@H]1CCC2(CCN(C)CC2)C1.C[C@H]1CCC2(C1)CN(C)C2.
What is the InChIKey of 2,8-dimethyl-2-azaspiro[4.5]decane;(3R)-3,8-dimethyl-8-azaspiro[4.5]decane;2,7-dimethyl-2-azaspiro[3.5]nonane;(6S)-2,6-dimethyl-2-azaspiro[3.4]octane;3,9-dimethyl-3-azaspiro[5.5]undecane?
The InChIKey is FXBVEWVLKWDIDB-WSOMJDHNSA-N. The full InChI is InChI=1S/C12H23N.2C11H21N.C10H19N.C9H17N/c1-11-3-5-12(6-4-11)7-9-13(2)10-8-12;1-10-3-5-11(6-4-10)7-8-12(2)9-11;1-10-3-4-11(9-10)5-7-12(2)8-6-11;1-9-3-5-10(6-4-9)7-11(2)8-10;1-8-3-4-9(5-8)6-10(2)7-9/h11H,3-10H2,1-2H3;2*10H,3-9H2,1-2H3;9H,3-8H2,1-2H3;8H,3-7H2,1-2H3/t;;10-;;8-/m..1.0/s1.
What are the key properties of 2,8-dimethyl-2-azaspiro[4.5]decane;(3R)-3,8-dimethyl-8-azaspiro[4.5]decane;2,7-dimethyl-2-azaspiro[3.5]nonane;(6S)-2,6-dimethyl-2-azaspiro[3.4]octane;3,9-dimethyl-3-azaspiro[5.5]undecane?
2,8-dimethyl-2-azaspiro[4.5]decane;(3R)-3,8-dimethyl-8-azaspiro[4.5]decane;2,7-dimethyl-2-azaspiro[3.5]nonane;(6S)-2,6-dimethyl-2-azaspiro[3.4]octane;3,9-dimethyl-3-azaspiro[5.5]undecane has a molecular weight of 808.43 g/mol, XLogP of 11.81, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyl-2-azaspiro[4.5]decane;(3R)-3,8-dimethyl-8-azaspiro[4.5]decane;2,7-dimethyl-2-azaspiro[3.5]nonane;(6S)-2,6-dimethyl-2-azaspiro[3.4]octane;3,9-dimethyl-3-azaspiro[5.5]undecane is sourced from PubChem (CID 158167987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).