3,3-dimethyl-1-azaspiro[3.4]octane

C9H17N — CID 167732753

IUPAC3,3-dimethyl-1-azaspiro[3.4]octane
SMILESCC1(C)CNC12CCCC2
InChIInChI=1S/C9H17N/c1-8(2)7-10-9(8)5-3-4-6-9/h10H,3-7H2,1-2H3
InChIKeyODABDXZNCKBFNB-UHFFFAOYSA-N
MW139.24 g/mol
LogP1.93
Rot. Bonds

About 3,3-dimethyl-1-azaspiro[3.4]octane

3,3-dimethyl-1-azaspiro[3.4]octane (PubChem CID 167732753) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 3,3-dimethyl-1-azaspiro[3.4]octane.

Molecular Properties

Compound Name3,3-dimethyl-1-azaspiro[3.4]octane
PubChem CID167732753
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name3,3-dimethyl-1-azaspiro[3.4]octane
SMILESCC1(C)CNC12CCCC2
InChIInChI=1S/C9H17N/c1-8(2)7-10-9(8)5-3-4-6-9/h10H,3-7H2,1-2H3
InChIKeyODABDXZNCKBFNB-UHFFFAOYSA-N
XLogP1.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-dimethylazocane
CID 123664425
(3aR,7aR)-3a,7a-dimethyl-2,3,4,5,6,7-hexahydro-1H-indene
CID 160715479
8,8-dimethyl-6,9-diazaspiro[4.5]decane
CID 64884642
3,3-difluoro-1,8-diazaspiro[3.5]nonane
CID 88978072
4,4,8,8-tetramethyl-1,3-diazocane
CID 140916782
ethane;methane;1,1,2,2-tetramethylcyclohexane
CID 144894499
3,3-dimethyl-1,4-diazaspiro[4.5]decane
CID 12869903
3,3-dimethyl-1-thia-4-azaspiro[4.4]nonane
CID 80500793
1-azaspiro[2.6]nonane;propane
CID 171101466
2,2-dimethyl-1-azaspiro[4.4]nonane
CID 54027373
4-methyl-4-(1-methylcyclopropyl)-1-azaspiro[4.5]decan-2-one
CID 165462793
2-methoxy-2-methylaziridine
CID 21493693

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-azaspiro[3.4]octane?
The IUPAC name of 3,3-dimethyl-1-azaspiro[3.4]octane (CID 167732753) is 3,3-dimethyl-1-azaspiro[3.4]octane.
What is the SMILES notation for 3,3-dimethyl-1-azaspiro[3.4]octane?
The canonical SMILES for 3,3-dimethyl-1-azaspiro[3.4]octane is CC1(C)CNC12CCCC2.
What is the InChIKey of 3,3-dimethyl-1-azaspiro[3.4]octane?
The InChIKey is ODABDXZNCKBFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-8(2)7-10-9(8)5-3-4-6-9/h10H,3-7H2,1-2H3.
What are the key properties of 3,3-dimethyl-1-azaspiro[3.4]octane?
3,3-dimethyl-1-azaspiro[3.4]octane has a molecular weight of 139.24 g/mol, XLogP of 1.93, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-azaspiro[3.4]octane is sourced from PubChem (CID 167732753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).