1-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]ethanamine

C16H30N2O — CID 102896033

IUPAC1-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]ethanamine
SMILESCC(N)C1CCCCN1CC1CCC2(CCCC2)O1
InChIInChI=1S/C16H30N2O/c1-13(17)15-6-2-5-11-18(15)12-14-7-10-16(19-14)8-3-4-9-16/h13-15H,2-12,17H2,1H3
InChIKeyMNBCMFDPAWKEJT-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.68
Rot. Bonds3

About 1-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]ethanamine

1-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]ethanamine (PubChem CID 102896033) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]ethanamine
PubChem CID102896033
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name1-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]ethanamine
SMILESCC(N)C1CCCCN1CC1CCC2(CCCC2)O1
InChIInChI=1S/C16H30N2O/c1-13(17)15-6-2-5-11-18(15)12-14-7-10-16(19-14)8-3-4-9-16/h13-15H,2-12,17H2,1H3
InChIKeyMNBCMFDPAWKEJT-UHFFFAOYSA-N
XLogP2.68
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]ethanamine?
The IUPAC name of 1-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]ethanamine (CID 102896033) is 1-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]ethanamine.
What is the SMILES notation for 1-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]ethanamine?
The canonical SMILES for 1-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]ethanamine is CC(N)C1CCCCN1CC1CCC2(CCCC2)O1.
What is the InChIKey of 1-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]ethanamine?
The InChIKey is MNBCMFDPAWKEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-13(17)15-6-2-5-11-18(15)12-14-7-10-16(19-14)8-3-4-9-16/h13-15H,2-12,17H2,1H3.
What are the key properties of 1-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]ethanamine?
1-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]ethanamine has a molecular weight of 266.43 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-2-yl]ethanamine is sourced from PubChem (CID 102896033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).