2-propan-2-yl-2-azaspiro[3.3]heptane;1-propan-2-ylazetidine;1-propan-2-yl-6-oxa-1-azaspiro[3.3]heptane

C23H45N3O — CID 163540025

IUPAC2-propan-2-yl-2-azaspiro[3.3]heptane;1-propan-2-ylazetidine;1-propan-2-yl-6-oxa-1-azaspiro[3.3]heptane
SMILESCC(C)N1CC2(CCC2)C1.CC(C)N1CCC1.CC(C)N1CCC12COC2
InChIInChI=1S/C9H17N.C8H15NO.C6H13N/c1-8(2)10-6-9(7-10)4-3-5-9;1-7(2)9-4-3-8(9)5-10-6-8;1-6(2)7-4-3-5-7/h8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;6H,3-5H2,1-2H3
InChIKeyFAIBMSRCYHDDRB-UHFFFAOYSA-N
MW379.63 g/mol
LogP3.85
Rot. Bonds3

About 2-propan-2-yl-2-azaspiro[3.3]heptane;1-propan-2-ylazetidine;1-propan-2-yl-6-oxa-1-azaspiro[3.3]heptane

2-propan-2-yl-2-azaspiro[3.3]heptane;1-propan-2-ylazetidine;1-propan-2-yl-6-oxa-1-azaspiro[3.3]heptane (PubChem CID 163540025) has the molecular formula C23H45N3O and a molecular weight of 379.63 g/mol. Its IUPAC name is 2-propan-2-yl-2-azaspiro[3.3]heptane;1-propan-2-ylazetidine;1-propan-2-yl-6-oxa-1-azaspiro[3.3]heptane.

Molecular Properties

Compound Name2-propan-2-yl-2-azaspiro[3.3]heptane;1-propan-2-ylazetidine;1-propan-2-yl-6-oxa-1-azaspiro[3.3]heptane
PubChem CID163540025
Molecular FormulaC23H45N3O
Molecular Weight379.63 g/mol
Exact Mass379.36
IUPAC Name2-propan-2-yl-2-azaspiro[3.3]heptane;1-propan-2-ylazetidine;1-propan-2-yl-6-oxa-1-azaspiro[3.3]heptane
SMILESCC(C)N1CC2(CCC2)C1.CC(C)N1CCC1.CC(C)N1CCC12COC2
InChIInChI=1S/C9H17N.C8H15NO.C6H13N/c1-8(2)10-6-9(7-10)4-3-5-9;1-7(2)9-4-3-8(9)5-10-6-8;1-6(2)7-4-3-5-7/h8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;6H,3-5H2,1-2H3
InChIKeyFAIBMSRCYHDDRB-UHFFFAOYSA-N
XLogP3.85
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.63
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-propan-2-yl-2-azaspiro[3.3]heptane;1-propan-2-ylazetidine;1-propan-2-yl-6-oxa-1-azaspiro[3.3]heptane with MolForge

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Related Compounds

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
2-propan-2-yl-2-azaspiro[3.4]octane
CID 118357245
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
methane;6-propan-2-yl-2-oxa-6-azaspiro[3.3]heptane
CID 159337288
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-8-oxa-2-azadispiro[3.1.36.14]decane
CID 146419325
ethane;7-propan-2-yl-2-oxa-7-azaspiro[3.5]nonane
CID 163266549
(5R)-1-propan-2-yl-7-oxa-1-azaspiro[4.4]nonane
CID 177187241
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
azane;fluoroform;2-propan-2-yl-2-azaspiro[3.5]nonane
CID 170629279
(5R)-6-propan-2-yl-2-oxa-6-azaspiro[4.5]decane
CID 170024825

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-2-azaspiro[3.3]heptane;1-propan-2-ylazetidine;1-propan-2-yl-6-oxa-1-azaspiro[3.3]heptane?
The IUPAC name of 2-propan-2-yl-2-azaspiro[3.3]heptane;1-propan-2-ylazetidine;1-propan-2-yl-6-oxa-1-azaspiro[3.3]heptane (CID 163540025) is 2-propan-2-yl-2-azaspiro[3.3]heptane;1-propan-2-ylazetidine;1-propan-2-yl-6-oxa-1-azaspiro[3.3]heptane.
What is the SMILES notation for 2-propan-2-yl-2-azaspiro[3.3]heptane;1-propan-2-ylazetidine;1-propan-2-yl-6-oxa-1-azaspiro[3.3]heptane?
The canonical SMILES for 2-propan-2-yl-2-azaspiro[3.3]heptane;1-propan-2-ylazetidine;1-propan-2-yl-6-oxa-1-azaspiro[3.3]heptane is CC(C)N1CC2(CCC2)C1.CC(C)N1CCC1.CC(C)N1CCC12COC2.
What is the InChIKey of 2-propan-2-yl-2-azaspiro[3.3]heptane;1-propan-2-ylazetidine;1-propan-2-yl-6-oxa-1-azaspiro[3.3]heptane?
The InChIKey is FAIBMSRCYHDDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N.C8H15NO.C6H13N/c1-8(2)10-6-9(7-10)4-3-5-9;1-7(2)9-4-3-8(9)5-10-6-8;1-6(2)7-4-3-5-7/h8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;6H,3-5H2,1-2H3.
What are the key properties of 2-propan-2-yl-2-azaspiro[3.3]heptane;1-propan-2-ylazetidine;1-propan-2-yl-6-oxa-1-azaspiro[3.3]heptane?
2-propan-2-yl-2-azaspiro[3.3]heptane;1-propan-2-ylazetidine;1-propan-2-yl-6-oxa-1-azaspiro[3.3]heptane has a molecular weight of 379.63 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-2-azaspiro[3.3]heptane;1-propan-2-ylazetidine;1-propan-2-yl-6-oxa-1-azaspiro[3.3]heptane is sourced from PubChem (CID 163540025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).