2-butan-2-yl-8-methyl-2-azaspiro[4.4]nonane

C13H25N — CID 171071187

IUPAC2-butan-2-yl-8-methyl-2-azaspiro[4.4]nonane
SMILESCCC(C)N1CCC2(CCC(C)C2)C1
InChIInChI=1S/C13H25N/c1-4-12(3)14-8-7-13(10-14)6-5-11(2)9-13/h11-12H,4-10H2,1-3H3
InChIKeyBJLOLQDNGYIFPZ-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.30
Rot. Bonds2

About 2-butan-2-yl-8-methyl-2-azaspiro[4.4]nonane

2-butan-2-yl-8-methyl-2-azaspiro[4.4]nonane (PubChem CID 171071187) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 2-butan-2-yl-8-methyl-2-azaspiro[4.4]nonane.

Molecular Properties

Compound Name2-butan-2-yl-8-methyl-2-azaspiro[4.4]nonane
PubChem CID171071187
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name2-butan-2-yl-8-methyl-2-azaspiro[4.4]nonane
SMILESCCC(C)N1CCC2(CCC(C)C2)C1
InChIInChI=1S/C13H25N/c1-4-12(3)14-8-7-13(10-14)6-5-11(2)9-13/h11-12H,4-10H2,1-3H3
InChIKeyBJLOLQDNGYIFPZ-UHFFFAOYSA-N
XLogP3.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-butan-2-yl-8-methyl-2,8-diazaspiro[4.5]decane
CID 170581950
2-butan-2-yl-7-propan-2-yl-2,7-diazaspiro[3.5]nonane
CID 170952212
8-methyl-2-propan-2-yl-2-azaspiro[4.5]decane
CID 146509979
7-butan-2-yl-2-oxa-7-azaspiro[4.4]nonane
CID 130621433
7-butan-2-yl-2-ethyl-7-azaspiro[3.5]nonane;ethane
CID 176986311
[1-(4-butan-2-ylpiperazin-1-yl)-3-methylcyclopentyl]methanamine
CID 64500744
ethane;8-ethyl-2-propan-2-yl-2-azaspiro[4.4]nonane
CID 154670982
3,8-dimethyl-8-azaspiro[4.5]decane
CID 22975666
(3R,8R)-3,8-dimethylspiro[4.4]nonane
CID 171400850
1-butan-2-yl-4-tert-butyl-4-methylpiperidine
CID 174167928
(5R,8R)-8-(bromomethyl)-2-propan-2-yl-2-azaspiro[4.4]nonane
CID 98083969
3,8-dimethylspiro[4.4]nonane;ethane
CID 178108265

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-8-methyl-2-azaspiro[4.4]nonane?
The IUPAC name of 2-butan-2-yl-8-methyl-2-azaspiro[4.4]nonane (CID 171071187) is 2-butan-2-yl-8-methyl-2-azaspiro[4.4]nonane.
What is the SMILES notation for 2-butan-2-yl-8-methyl-2-azaspiro[4.4]nonane?
The canonical SMILES for 2-butan-2-yl-8-methyl-2-azaspiro[4.4]nonane is CCC(C)N1CCC2(CCC(C)C2)C1.
What is the InChIKey of 2-butan-2-yl-8-methyl-2-azaspiro[4.4]nonane?
The InChIKey is BJLOLQDNGYIFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-4-12(3)14-8-7-13(10-14)6-5-11(2)9-13/h11-12H,4-10H2,1-3H3.
What are the key properties of 2-butan-2-yl-8-methyl-2-azaspiro[4.4]nonane?
2-butan-2-yl-8-methyl-2-azaspiro[4.4]nonane has a molecular weight of 195.35 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-8-methyl-2-azaspiro[4.4]nonane is sourced from PubChem (CID 171071187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).