[5-(8-azaspiro[4.5]decan-8-ylmethyl)oxolan-2-yl]methanamine

C15H28N2O — CID 63163248

IUPAC[5-(8-azaspiro[4.5]decan-8-ylmethyl)oxolan-2-yl]methanamine
SMILESNCC1CCC(CN2CCC3(CCCC3)CC2)O1
InChIInChI=1S/C15H28N2O/c16-11-13-3-4-14(18-13)12-17-9-7-15(8-10-17)5-1-2-6-15/h13-14H,1-12,16H2
InChIKeyJOJDSGMLMHGYEA-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.15
Rot. Bonds3

About [5-(8-azaspiro[4.5]decan-8-ylmethyl)oxolan-2-yl]methanamine

[5-(8-azaspiro[4.5]decan-8-ylmethyl)oxolan-2-yl]methanamine (PubChem CID 63163248) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is [5-(8-azaspiro[4.5]decan-8-ylmethyl)oxolan-2-yl]methanamine.

Molecular Properties

Compound Name[5-(8-azaspiro[4.5]decan-8-ylmethyl)oxolan-2-yl]methanamine
PubChem CID63163248
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name[5-(8-azaspiro[4.5]decan-8-ylmethyl)oxolan-2-yl]methanamine
SMILESNCC1CCC(CN2CCC3(CCCC3)CC2)O1
InChIInChI=1S/C15H28N2O/c16-11-13-3-4-14(18-13)12-17-9-7-15(8-10-17)5-1-2-6-15/h13-14H,1-12,16H2
InChIKeyJOJDSGMLMHGYEA-UHFFFAOYSA-N
XLogP2.15
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(8-azaspiro[4.5]decan-8-ylmethyl)oxolan-2-yl]methanamine?
The IUPAC name of [5-(8-azaspiro[4.5]decan-8-ylmethyl)oxolan-2-yl]methanamine (CID 63163248) is [5-(8-azaspiro[4.5]decan-8-ylmethyl)oxolan-2-yl]methanamine.
What is the SMILES notation for [5-(8-azaspiro[4.5]decan-8-ylmethyl)oxolan-2-yl]methanamine?
The canonical SMILES for [5-(8-azaspiro[4.5]decan-8-ylmethyl)oxolan-2-yl]methanamine is NCC1CCC(CN2CCC3(CCCC3)CC2)O1.
What is the InChIKey of [5-(8-azaspiro[4.5]decan-8-ylmethyl)oxolan-2-yl]methanamine?
The InChIKey is JOJDSGMLMHGYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c16-11-13-3-4-14(18-13)12-17-9-7-15(8-10-17)5-1-2-6-15/h13-14H,1-12,16H2.
What are the key properties of [5-(8-azaspiro[4.5]decan-8-ylmethyl)oxolan-2-yl]methanamine?
[5-(8-azaspiro[4.5]decan-8-ylmethyl)oxolan-2-yl]methanamine has a molecular weight of 252.40 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(8-azaspiro[4.5]decan-8-ylmethyl)oxolan-2-yl]methanamine is sourced from PubChem (CID 63163248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).