3-(2-azaspiro[3.4]octan-2-yl)butan-2-amine

C11H22N2 — CID 130963997

IUPAC3-(2-azaspiro[3.4]octan-2-yl)butan-2-amine
SMILESCC(N)C(C)N1CC2(CCCC2)C1
InChIInChI=1S/C11H22N2/c1-9(12)10(2)13-7-11(8-13)5-3-4-6-11/h9-10H,3-8,12H2,1-2H3
InChIKeyOHWQXXCUTVEXTN-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.60
Rot. Bonds2

About 3-(2-azaspiro[3.4]octan-2-yl)butan-2-amine

3-(2-azaspiro[3.4]octan-2-yl)butan-2-amine (PubChem CID 130963997) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 3-(2-azaspiro[3.4]octan-2-yl)butan-2-amine.

Molecular Properties

Compound Name3-(2-azaspiro[3.4]octan-2-yl)butan-2-amine
PubChem CID130963997
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name3-(2-azaspiro[3.4]octan-2-yl)butan-2-amine
SMILESCC(N)C(C)N1CC2(CCCC2)C1
InChIInChI=1S/C11H22N2/c1-9(12)10(2)13-7-11(8-13)5-3-4-6-11/h9-10H,3-8,12H2,1-2H3
InChIKeyOHWQXXCUTVEXTN-UHFFFAOYSA-N
XLogP1.60
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-propan-2-yl-2-azaspiro[3.4]octane
CID 118357245
1-(3-aminobutan-2-yl)-3-propan-2-ylazetidin-3-ol
CID 131071118
2-(2-azaspiro[3.4]octan-2-yl)propan-1-ol
CID 104549199
azane;fluoroform;2-propan-2-yl-2-azaspiro[3.5]nonane
CID 170629279
2-(2-azaspiro[3.4]octan-2-yl)propanoic acid
CID 79686519
(2S)-2-(2-azaspiro[3.5]nonan-2-yl)propan-1-ol
CID 104550126
4-(5-azaspiro[2.3]hexan-5-yl)pentan-2-amine
CID 130646251
2-(2-azaspiro[3.5]nonan-2-yl)-3-methylpentanoic acid
CID 79687344
ethane;2-propan-2-yl-2-azaspiro[4.5]decane
CID 144877753
1-(2-azaspiro[3.3]heptan-2-yl)propan-2-amine
CID 79678743
2-amino-3-(5-azaspiro[2.5]octan-5-yl)butanamide
CID 164653521
2,8-di(propan-2-yl)-2-azaspiro[3.7]undecane
CID 170930119

Frequently Asked Questions

What is the IUPAC name of 3-(2-azaspiro[3.4]octan-2-yl)butan-2-amine?
The IUPAC name of 3-(2-azaspiro[3.4]octan-2-yl)butan-2-amine (CID 130963997) is 3-(2-azaspiro[3.4]octan-2-yl)butan-2-amine.
What is the SMILES notation for 3-(2-azaspiro[3.4]octan-2-yl)butan-2-amine?
The canonical SMILES for 3-(2-azaspiro[3.4]octan-2-yl)butan-2-amine is CC(N)C(C)N1CC2(CCCC2)C1.
What is the InChIKey of 3-(2-azaspiro[3.4]octan-2-yl)butan-2-amine?
The InChIKey is OHWQXXCUTVEXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-9(12)10(2)13-7-11(8-13)5-3-4-6-11/h9-10H,3-8,12H2,1-2H3.
What are the key properties of 3-(2-azaspiro[3.4]octan-2-yl)butan-2-amine?
3-(2-azaspiro[3.4]octan-2-yl)butan-2-amine has a molecular weight of 182.31 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-azaspiro[3.4]octan-2-yl)butan-2-amine is sourced from PubChem (CID 130963997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).