N-methyl-1-(1-oxaspiro[4.5]decan-8-yl)methanamine

C11H21NO — CID 153339575

IUPACN-methyl-1-(1-oxaspiro[4.5]decan-8-yl)methanamine
SMILESCNCC1CCC2(CCCO2)CC1
InChIInChI=1S/C11H21NO/c1-12-9-10-3-6-11(7-4-10)5-2-8-13-11/h10,12H,2-9H2,1H3
InChIKeyBQNRJEJRTNXNOO-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.95
Rot. Bonds2

About N-methyl-1-(1-oxaspiro[4.5]decan-8-yl)methanamine

N-methyl-1-(1-oxaspiro[4.5]decan-8-yl)methanamine (PubChem CID 153339575) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is N-methyl-1-(1-oxaspiro[4.5]decan-8-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(1-oxaspiro[4.5]decan-8-yl)methanamine
PubChem CID153339575
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC NameN-methyl-1-(1-oxaspiro[4.5]decan-8-yl)methanamine
SMILESCNCC1CCC2(CCCO2)CC1
InChIInChI=1S/C11H21NO/c1-12-9-10-3-6-11(7-4-10)5-2-8-13-11/h10,12H,2-9H2,1H3
InChIKeyBQNRJEJRTNXNOO-UHFFFAOYSA-N
XLogP1.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-oxaspiro[4.5]decan-8-yl)methanamine?
The IUPAC name of N-methyl-1-(1-oxaspiro[4.5]decan-8-yl)methanamine (CID 153339575) is N-methyl-1-(1-oxaspiro[4.5]decan-8-yl)methanamine.
What is the SMILES notation for N-methyl-1-(1-oxaspiro[4.5]decan-8-yl)methanamine?
The canonical SMILES for N-methyl-1-(1-oxaspiro[4.5]decan-8-yl)methanamine is CNCC1CCC2(CCCO2)CC1.
What is the InChIKey of N-methyl-1-(1-oxaspiro[4.5]decan-8-yl)methanamine?
The InChIKey is BQNRJEJRTNXNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-12-9-10-3-6-11(7-4-10)5-2-8-13-11/h10,12H,2-9H2,1H3.
What are the key properties of N-methyl-1-(1-oxaspiro[4.5]decan-8-yl)methanamine?
N-methyl-1-(1-oxaspiro[4.5]decan-8-yl)methanamine has a molecular weight of 183.29 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-oxaspiro[4.5]decan-8-yl)methanamine is sourced from PubChem (CID 153339575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).