3-butan-2-yl-2-azaspiro[3.4]octane

C11H21N — CID 130575209

IUPAC3-butan-2-yl-2-azaspiro[3.4]octane
SMILESCCC(C)C1NCC12CCCC2
InChIInChI=1S/C11H21N/c1-3-9(2)10-11(8-12-10)6-4-5-7-11/h9-10,12H,3-8H2,1-2H3
InChIKeyATCSMVVSKGUROZ-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.56
Rot. Bonds2

About 3-butan-2-yl-2-azaspiro[3.4]octane

3-butan-2-yl-2-azaspiro[3.4]octane (PubChem CID 130575209) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 3-butan-2-yl-2-azaspiro[3.4]octane.

Molecular Properties

Compound Name3-butan-2-yl-2-azaspiro[3.4]octane
PubChem CID130575209
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name3-butan-2-yl-2-azaspiro[3.4]octane
SMILESCCC(C)C1NCC12CCCC2
InChIInChI=1S/C11H21N/c1-3-9(2)10-11(8-12-10)6-4-5-7-11/h9-10,12H,3-8H2,1-2H3
InChIKeyATCSMVVSKGUROZ-UHFFFAOYSA-N
XLogP2.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-butan-2-yl-2-azaspiro[3.4]octane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-pentan-3-yl-2-azaspiro[3.3]heptane
CID 130575033
3-propan-2-yl-2-azaspiro[3.3]heptane
CID 119031853
3-methyl-2-azaspiro[3.6]decane
CID 130575332
(3R)-3-methyl-2-azaspiro[3.5]nonane
CID 170058658
8-butan-2-yl-6-[(E)-but-2-enyl]-6,9-diazaspiro[4.5]decane
CID 107898013
1-ethyl-2-azaspiro[4.11]hexadecane
CID 55191718
1-propan-2-yl-2-azaspiro[4.5]decane
CID 82601210
3-butan-2-yl-1-(2-fluoroethyl)-1,4-diazaspiro[5.5]undecane
CID 80696604
8-butan-2-yl-6-(cyclobutylmethyl)-6,9-diazaspiro[4.5]decane
CID 65462680
(2S)-2-[(2S)-butan-2-yl]pyrrolidine
CID 7047855
3-butan-2-yl-1-hexyl-1,4-diazaspiro[5.5]undecane
CID 64848074
8-butan-2-yl-6-(2-propan-2-yloxyethyl)-6,9-diazaspiro[4.5]decane
CID 64850001

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-2-azaspiro[3.4]octane?
The IUPAC name of 3-butan-2-yl-2-azaspiro[3.4]octane (CID 130575209) is 3-butan-2-yl-2-azaspiro[3.4]octane.
What is the SMILES notation for 3-butan-2-yl-2-azaspiro[3.4]octane?
The canonical SMILES for 3-butan-2-yl-2-azaspiro[3.4]octane is CCC(C)C1NCC12CCCC2.
What is the InChIKey of 3-butan-2-yl-2-azaspiro[3.4]octane?
The InChIKey is ATCSMVVSKGUROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-3-9(2)10-11(8-12-10)6-4-5-7-11/h9-10,12H,3-8H2,1-2H3.
What are the key properties of 3-butan-2-yl-2-azaspiro[3.4]octane?
3-butan-2-yl-2-azaspiro[3.4]octane has a molecular weight of 167.30 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-2-azaspiro[3.4]octane is sourced from PubChem (CID 130575209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).