2-methyl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane;8-propan-2-yl-2-oxa-8-azaspiro[3.5]nonane

C21H41N3O — CID 170709269

IUPAC2-methyl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane;8-propan-2-yl-2-oxa-8-azaspiro[3.5]nonane
SMILESCC(C)N1CCC2(CC1)CN(C)C2.CC(C)N1CCCC2(COC2)C1
InChIInChI=1S/C11H22N2.C10H19NO/c1-10(2)13-6-4-11(5-7-13)8-12(3)9-11;1-9(2)11-5-3-4-10(6-11)7-12-8-10/h10H,4-9H2,1-3H3;9H,3-8H2,1-2H3
InChIKeySVUSFEMXAOEOPO-UHFFFAOYSA-N
MW351.58 g/mol
LogP2.93
Rot. Bonds2

About 2-methyl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane;8-propan-2-yl-2-oxa-8-azaspiro[3.5]nonane

2-methyl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane;8-propan-2-yl-2-oxa-8-azaspiro[3.5]nonane (PubChem CID 170709269) has the molecular formula C21H41N3O and a molecular weight of 351.58 g/mol. Its IUPAC name is 2-methyl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane;8-propan-2-yl-2-oxa-8-azaspiro[3.5]nonane.

Molecular Properties

Compound Name2-methyl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane;8-propan-2-yl-2-oxa-8-azaspiro[3.5]nonane
PubChem CID170709269
Molecular FormulaC21H41N3O
Molecular Weight351.58 g/mol
Exact Mass351.32
IUPAC Name2-methyl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane;8-propan-2-yl-2-oxa-8-azaspiro[3.5]nonane
SMILESCC(C)N1CCC2(CC1)CN(C)C2.CC(C)N1CCCC2(COC2)C1
InChIInChI=1S/C11H22N2.C10H19NO/c1-10(2)13-6-4-11(5-7-13)8-12(3)9-11;1-9(2)11-5-3-4-10(6-11)7-12-8-10/h10H,4-9H2,1-3H3;9H,3-8H2,1-2H3
InChIKeySVUSFEMXAOEOPO-UHFFFAOYSA-N
XLogP2.93
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.58
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;7-propan-2-yl-2-oxa-7-azaspiro[3.4]octane
CID 158223756
2,9-di(propan-2-yl)-2,9-diazaspiro[5.5]undecane;ethane
CID 172605205
2-propan-2-yl-2-azaspiro[3.3]heptane;1-propan-2-ylazetidine;6-propan-2-yl-2-oxa-6-azaspiro[3.3]heptane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 167655011
ethane;2-propan-2-yl-2-azaspiro[4.5]decane;2-propan-2-yl-2-azaspiro[4.4]nonane;2-propan-2-yl-8-oxa-2-azaspiro[4.5]decane;7-propan-2-yl-2-oxa-7-azaspiro[3.4]octane
CID 167593121
ethane;2-methyl-9-propan-2-yl-2,9-diazaspiro[5.5]undecane
CID 154672647
ethane;7-methyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane
CID 145449305
ethane;methane;2-methyl-6-propan-2-yl-2,6-diazaspiro[3.4]octane
CID 162125868
ethane;7-propan-2-yl-2-oxa-7-azaspiro[3.5]nonane
CID 163266549
7-propan-2-yl-2-oxa-7-azaspiro[4.4]nonane
CID 90348092
7-methyl-2-[5-(2-propan-2-yl-2,8-diazaspiro[3.5]nonan-8-yl)hexan-2-yl]-2,7-diazaspiro[4.4]nonane
CID 170050869
ethane;9-propan-2-yl-2-oxa-9-azaspiro[5.5]undecane
CID 176693659
2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane;2,7-di(propan-2-yl)-2,7-diazaspiro[4.4]nonane
CID 163848476

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane;8-propan-2-yl-2-oxa-8-azaspiro[3.5]nonane?
The IUPAC name of 2-methyl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane;8-propan-2-yl-2-oxa-8-azaspiro[3.5]nonane (CID 170709269) is 2-methyl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane;8-propan-2-yl-2-oxa-8-azaspiro[3.5]nonane.
What is the SMILES notation for 2-methyl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane;8-propan-2-yl-2-oxa-8-azaspiro[3.5]nonane?
The canonical SMILES for 2-methyl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane;8-propan-2-yl-2-oxa-8-azaspiro[3.5]nonane is CC(C)N1CCC2(CC1)CN(C)C2.CC(C)N1CCCC2(COC2)C1.
What is the InChIKey of 2-methyl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane;8-propan-2-yl-2-oxa-8-azaspiro[3.5]nonane?
The InChIKey is SVUSFEMXAOEOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2.C10H19NO/c1-10(2)13-6-4-11(5-7-13)8-12(3)9-11;1-9(2)11-5-3-4-10(6-11)7-12-8-10/h10H,4-9H2,1-3H3;9H,3-8H2,1-2H3.
What are the key properties of 2-methyl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane;8-propan-2-yl-2-oxa-8-azaspiro[3.5]nonane?
2-methyl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane;8-propan-2-yl-2-oxa-8-azaspiro[3.5]nonane has a molecular weight of 351.58 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane;8-propan-2-yl-2-oxa-8-azaspiro[3.5]nonane is sourced from PubChem (CID 170709269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).