6-cyclobutylspiro[2.5]oct-6-en-2-amine

C12H19N — CID 165465722

IUPAC6-cyclobutylspiro[2.5]oct-6-en-2-amine
SMILESNC1CC12CC=C(C1CCC1)CC2
InChIInChI=1S/C12H19N/c13-11-8-12(11)6-4-10(5-7-12)9-2-1-3-9/h4,9,11H,1-3,5-8,13H2
InChIKeyAWMAUSDDCVVNLR-UHFFFAOYSA-N
MW177.29 g/mol
LogP2.61
Rot. Bonds1

About 6-cyclobutylspiro[2.5]oct-6-en-2-amine

6-cyclobutylspiro[2.5]oct-6-en-2-amine (PubChem CID 165465722) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 6-cyclobutylspiro[2.5]oct-6-en-2-amine.

Molecular Properties

Compound Name6-cyclobutylspiro[2.5]oct-6-en-2-amine
PubChem CID165465722
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name6-cyclobutylspiro[2.5]oct-6-en-2-amine
SMILESNC1CC12CC=C(C1CCC1)CC2
InChIInChI=1S/C12H19N/c13-11-8-12(11)6-4-10(5-7-12)9-2-1-3-9/h4,9,11H,1-3,5-8,13H2
InChIKeyAWMAUSDDCVVNLR-UHFFFAOYSA-N
XLogP2.61
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-cyclobutylspiro[2.5]oct-6-en-2-amine?
The IUPAC name of 6-cyclobutylspiro[2.5]oct-6-en-2-amine (CID 165465722) is 6-cyclobutylspiro[2.5]oct-6-en-2-amine.
What is the SMILES notation for 6-cyclobutylspiro[2.5]oct-6-en-2-amine?
The canonical SMILES for 6-cyclobutylspiro[2.5]oct-6-en-2-amine is NC1CC12CC=C(C1CCC1)CC2.
What is the InChIKey of 6-cyclobutylspiro[2.5]oct-6-en-2-amine?
The InChIKey is AWMAUSDDCVVNLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c13-11-8-12(11)6-4-10(5-7-12)9-2-1-3-9/h4,9,11H,1-3,5-8,13H2.
What are the key properties of 6-cyclobutylspiro[2.5]oct-6-en-2-amine?
6-cyclobutylspiro[2.5]oct-6-en-2-amine has a molecular weight of 177.29 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclobutylspiro[2.5]oct-6-en-2-amine is sourced from PubChem (CID 165465722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).