8-(cyclobutylmethyl)-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine

C15H28N2O — CID 134076295

IUPAC8-(cyclobutylmethyl)-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine
SMILESCN(C)C1COC2(CCN(CC3CCC3)CC2)C1
InChIInChI=1S/C15H28N2O/c1-16(2)14-10-15(18-12-14)6-8-17(9-7-15)11-13-4-3-5-13/h13-14H,3-12H2,1-2H3
InChIKeyBHSVVGSITPKZTH-UHFFFAOYSA-N
MW252.40 g/mol
LogP1.97
Rot. Bonds3

About 8-(cyclobutylmethyl)-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine

8-(cyclobutylmethyl)-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine (PubChem CID 134076295) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 8-(cyclobutylmethyl)-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine.

Molecular Properties

Compound Name8-(cyclobutylmethyl)-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine
PubChem CID134076295
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name8-(cyclobutylmethyl)-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine
SMILESCN(C)C1COC2(CCN(CC3CCC3)CC2)C1
InChIInChI=1S/C15H28N2O/c1-16(2)14-10-15(18-12-14)6-8-17(9-7-15)11-13-4-3-5-13/h13-14H,3-12H2,1-2H3
InChIKeyBHSVVGSITPKZTH-UHFFFAOYSA-N
XLogP1.97
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(cyclobutylmethyl)-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine?
The IUPAC name of 8-(cyclobutylmethyl)-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine (CID 134076295) is 8-(cyclobutylmethyl)-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine.
What is the SMILES notation for 8-(cyclobutylmethyl)-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine?
The canonical SMILES for 8-(cyclobutylmethyl)-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine is CN(C)C1COC2(CCN(CC3CCC3)CC2)C1.
What is the InChIKey of 8-(cyclobutylmethyl)-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine?
The InChIKey is BHSVVGSITPKZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-16(2)14-10-15(18-12-14)6-8-17(9-7-15)11-13-4-3-5-13/h13-14H,3-12H2,1-2H3.
What are the key properties of 8-(cyclobutylmethyl)-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine?
8-(cyclobutylmethyl)-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine has a molecular weight of 252.40 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(cyclobutylmethyl)-N,N-dimethyl-1-oxa-8-azaspiro[4.5]decan-3-amine is sourced from PubChem (CID 134076295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).