3-butan-2-yloxyspiro[3.5]nonan-1-amine

C13H25NO — CID 66351975

IUPAC3-butan-2-yloxyspiro[3.5]nonan-1-amine
SMILESCCC(C)OC1CC(N)C12CCCCC2
InChIInChI=1S/C13H25NO/c1-3-10(2)15-12-9-11(14)13(12)7-5-4-6-8-13/h10-12H,3-9,14H2,1-2H3
InChIKeyKWTQKOZIOJTFRN-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.85
Rot. Bonds3

About 3-butan-2-yloxyspiro[3.5]nonan-1-amine

3-butan-2-yloxyspiro[3.5]nonan-1-amine (PubChem CID 66351975) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 3-butan-2-yloxyspiro[3.5]nonan-1-amine.

Molecular Properties

Compound Name3-butan-2-yloxyspiro[3.5]nonan-1-amine
PubChem CID66351975
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name3-butan-2-yloxyspiro[3.5]nonan-1-amine
SMILESCCC(C)OC1CC(N)C12CCCCC2
InChIInChI=1S/C13H25NO/c1-3-10(2)15-12-9-11(14)13(12)7-5-4-6-8-13/h10-12H,3-9,14H2,1-2H3
InChIKeyKWTQKOZIOJTFRN-UHFFFAOYSA-N
XLogP2.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yloxyspiro[3.5]nonan-1-amine?
The IUPAC name of 3-butan-2-yloxyspiro[3.5]nonan-1-amine (CID 66351975) is 3-butan-2-yloxyspiro[3.5]nonan-1-amine.
What is the SMILES notation for 3-butan-2-yloxyspiro[3.5]nonan-1-amine?
The canonical SMILES for 3-butan-2-yloxyspiro[3.5]nonan-1-amine is CCC(C)OC1CC(N)C12CCCCC2.
What is the InChIKey of 3-butan-2-yloxyspiro[3.5]nonan-1-amine?
The InChIKey is KWTQKOZIOJTFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-3-10(2)15-12-9-11(14)13(12)7-5-4-6-8-13/h10-12H,3-9,14H2,1-2H3.
What are the key properties of 3-butan-2-yloxyspiro[3.5]nonan-1-amine?
3-butan-2-yloxyspiro[3.5]nonan-1-amine has a molecular weight of 211.35 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yloxyspiro[3.5]nonan-1-amine is sourced from PubChem (CID 66351975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).