N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)piperidin-3-amine

C15H28N2O — CID 79900304

IUPACN-methyl-1-(6-oxaspiro[4.5]decan-9-yl)piperidin-3-amine
SMILESCNC1CCCN(C2CCOC3(CCCC3)C2)C1
InChIInChI=1S/C15H28N2O/c1-16-13-5-4-9-17(12-13)14-6-10-18-15(11-14)7-2-3-8-15/h13-14,16H,2-12H2,1H3
InChIKeyMYJZAXAGLQKLDV-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.16
Rot. Bonds2

About N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)piperidin-3-amine

N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)piperidin-3-amine (PubChem CID 79900304) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)piperidin-3-amine.

Molecular Properties

Compound NameN-methyl-1-(6-oxaspiro[4.5]decan-9-yl)piperidin-3-amine
PubChem CID79900304
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC NameN-methyl-1-(6-oxaspiro[4.5]decan-9-yl)piperidin-3-amine
SMILESCNC1CCCN(C2CCOC3(CCCC3)C2)C1
InChIInChI=1S/C15H28N2O/c1-16-13-5-4-9-17(12-13)14-6-10-18-15(11-14)7-2-3-8-15/h13-14,16H,2-12H2,1H3
InChIKeyMYJZAXAGLQKLDV-UHFFFAOYSA-N
XLogP2.16
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)piperidin-3-amine?
The IUPAC name of N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)piperidin-3-amine (CID 79900304) is N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)piperidin-3-amine.
What is the SMILES notation for N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)piperidin-3-amine?
The canonical SMILES for N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)piperidin-3-amine is CNC1CCCN(C2CCOC3(CCCC3)C2)C1.
What is the InChIKey of N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)piperidin-3-amine?
The InChIKey is MYJZAXAGLQKLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-16-13-5-4-9-17(12-13)14-6-10-18-15(11-14)7-2-3-8-15/h13-14,16H,2-12H2,1H3.
What are the key properties of N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)piperidin-3-amine?
N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)piperidin-3-amine has a molecular weight of 252.40 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)piperidin-3-amine is sourced from PubChem (CID 79900304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).