2-(2-methylpropoxy)spiro[3.3]heptan-6-amine

C11H21NO — CID 155628360

IUPAC2-(2-methylpropoxy)spiro[3.3]heptan-6-amine
SMILESCC(C)COC1CC2(CC(N)C2)C1
InChIInChI=1S/C11H21NO/c1-8(2)7-13-10-5-11(6-10)3-9(12)4-11/h8-10H,3-7,12H2,1-2H3
InChIKeyTYEGKCDOIUXWEK-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.93
Rot. Bonds3

About 2-(2-methylpropoxy)spiro[3.3]heptan-6-amine

2-(2-methylpropoxy)spiro[3.3]heptan-6-amine (PubChem CID 155628360) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2-(2-methylpropoxy)spiro[3.3]heptan-6-amine.

Molecular Properties

Compound Name2-(2-methylpropoxy)spiro[3.3]heptan-6-amine
PubChem CID155628360
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2-(2-methylpropoxy)spiro[3.3]heptan-6-amine
SMILESCC(C)COC1CC2(CC(N)C2)C1
InChIInChI=1S/C11H21NO/c1-8(2)7-13-10-5-11(6-10)3-9(12)4-11/h8-10H,3-7,12H2,1-2H3
InChIKeyTYEGKCDOIUXWEK-UHFFFAOYSA-N
XLogP1.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropoxy)spiro[3.3]heptan-6-amine?
The IUPAC name of 2-(2-methylpropoxy)spiro[3.3]heptan-6-amine (CID 155628360) is 2-(2-methylpropoxy)spiro[3.3]heptan-6-amine.
What is the SMILES notation for 2-(2-methylpropoxy)spiro[3.3]heptan-6-amine?
The canonical SMILES for 2-(2-methylpropoxy)spiro[3.3]heptan-6-amine is CC(C)COC1CC2(CC(N)C2)C1.
What is the InChIKey of 2-(2-methylpropoxy)spiro[3.3]heptan-6-amine?
The InChIKey is TYEGKCDOIUXWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-8(2)7-13-10-5-11(6-10)3-9(12)4-11/h8-10H,3-7,12H2,1-2H3.
What are the key properties of 2-(2-methylpropoxy)spiro[3.3]heptan-6-amine?
2-(2-methylpropoxy)spiro[3.3]heptan-6-amine has a molecular weight of 183.29 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropoxy)spiro[3.3]heptan-6-amine is sourced from PubChem (CID 155628360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).