2-spiro[3.4]octan-8-ylpropan-1-amine

C11H21N — CID 83905629

IUPAC2-spiro[3.4]octan-8-ylpropan-1-amine
SMILESCC(CN)C1CCCC12CCC2
InChIInChI=1S/C11H21N/c1-9(8-12)10-4-2-5-11(10)6-3-7-11/h9-10H,2-8,12H2,1H3
InChIKeyLFMICHWJBWMZIH-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.55
Rot. Bonds2

About 2-spiro[3.4]octan-8-ylpropan-1-amine

2-spiro[3.4]octan-8-ylpropan-1-amine (PubChem CID 83905629) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 2-spiro[3.4]octan-8-ylpropan-1-amine.

Molecular Properties

Compound Name2-spiro[3.4]octan-8-ylpropan-1-amine
PubChem CID83905629
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name2-spiro[3.4]octan-8-ylpropan-1-amine
SMILESCC(CN)C1CCCC12CCC2
InChIInChI=1S/C11H21N/c1-9(8-12)10-4-2-5-11(10)6-3-7-11/h9-10H,2-8,12H2,1H3
InChIKeyLFMICHWJBWMZIH-UHFFFAOYSA-N
XLogP2.55
TPSA26.02 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 ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-spiro[3.4]octan-8-ylpropan-1-amine?
The IUPAC name of 2-spiro[3.4]octan-8-ylpropan-1-amine (CID 83905629) is 2-spiro[3.4]octan-8-ylpropan-1-amine.
What is the SMILES notation for 2-spiro[3.4]octan-8-ylpropan-1-amine?
The canonical SMILES for 2-spiro[3.4]octan-8-ylpropan-1-amine is CC(CN)C1CCCC12CCC2.
What is the InChIKey of 2-spiro[3.4]octan-8-ylpropan-1-amine?
The InChIKey is LFMICHWJBWMZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-9(8-12)10-4-2-5-11(10)6-3-7-11/h9-10H,2-8,12H2,1H3.
What are the key properties of 2-spiro[3.4]octan-8-ylpropan-1-amine?
2-spiro[3.4]octan-8-ylpropan-1-amine has a molecular weight of 167.30 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-spiro[3.4]octan-8-ylpropan-1-amine is sourced from PubChem (CID 83905629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).