2-oxaspiro[4.5]decan-3-ylmethanamine

C10H19NO — CID 131402436

IUPAC2-oxaspiro[4.5]decan-3-ylmethanamine
SMILESNCC1CC2(CCCCC2)CO1
InChIInChI=1S/C10H19NO/c11-7-9-6-10(8-12-9)4-2-1-3-5-10/h9H,1-8,11H2
InChIKeyBSJWXHGYNHRBQR-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.68
Rot. Bonds1

About 2-oxaspiro[4.5]decan-3-ylmethanamine

2-oxaspiro[4.5]decan-3-ylmethanamine (PubChem CID 131402436) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-oxaspiro[4.5]decan-3-ylmethanamine.

Molecular Properties

Compound Name2-oxaspiro[4.5]decan-3-ylmethanamine
PubChem CID131402436
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2-oxaspiro[4.5]decan-3-ylmethanamine
SMILESNCC1CC2(CCCCC2)CO1
InChIInChI=1S/C10H19NO/c11-7-9-6-10(8-12-9)4-2-1-3-5-10/h9H,1-8,11H2
InChIKeyBSJWXHGYNHRBQR-UHFFFAOYSA-N
XLogP1.68
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-oxaspiro[4.5]decan-3-ylmethanamine?
The IUPAC name of 2-oxaspiro[4.5]decan-3-ylmethanamine (CID 131402436) is 2-oxaspiro[4.5]decan-3-ylmethanamine.
What is the SMILES notation for 2-oxaspiro[4.5]decan-3-ylmethanamine?
The canonical SMILES for 2-oxaspiro[4.5]decan-3-ylmethanamine is NCC1CC2(CCCCC2)CO1.
What is the InChIKey of 2-oxaspiro[4.5]decan-3-ylmethanamine?
The InChIKey is BSJWXHGYNHRBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c11-7-9-6-10(8-12-9)4-2-1-3-5-10/h9H,1-8,11H2.
What are the key properties of 2-oxaspiro[4.5]decan-3-ylmethanamine?
2-oxaspiro[4.5]decan-3-ylmethanamine has a molecular weight of 169.27 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxaspiro[4.5]decan-3-ylmethanamine is sourced from PubChem (CID 131402436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).