1-(2,8-dimethyl-1-oxaspiro[4.4]nonan-2-yl)-N-methylmethanamine

C12H23NO — CID 130584044

IUPAC1-(2,8-dimethyl-1-oxaspiro[4.4]nonan-2-yl)-N-methylmethanamine
SMILESCNCC1(C)CCC2(CCC(C)C2)O1
InChIInChI=1S/C12H23NO/c1-10-4-5-12(8-10)7-6-11(2,14-12)9-13-3/h10,13H,4-9H2,1-3H3
InChIKeyNAEVDVFNUOJOQV-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.33
Rot. Bonds2

About 1-(2,8-dimethyl-1-oxaspiro[4.4]nonan-2-yl)-N-methylmethanamine

1-(2,8-dimethyl-1-oxaspiro[4.4]nonan-2-yl)-N-methylmethanamine (PubChem CID 130584044) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-(2,8-dimethyl-1-oxaspiro[4.4]nonan-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,8-dimethyl-1-oxaspiro[4.4]nonan-2-yl)-N-methylmethanamine
PubChem CID130584044
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-(2,8-dimethyl-1-oxaspiro[4.4]nonan-2-yl)-N-methylmethanamine
SMILESCNCC1(C)CCC2(CCC(C)C2)O1
InChIInChI=1S/C12H23NO/c1-10-4-5-12(8-10)7-6-11(2,14-12)9-13-3/h10,13H,4-9H2,1-3H3
InChIKeyNAEVDVFNUOJOQV-UHFFFAOYSA-N
XLogP2.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,8-dimethyl-1-oxaspiro[4.4]nonan-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(2,8-dimethyl-1-oxaspiro[4.4]nonan-2-yl)-N-methylmethanamine (CID 130584044) is 1-(2,8-dimethyl-1-oxaspiro[4.4]nonan-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,8-dimethyl-1-oxaspiro[4.4]nonan-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2,8-dimethyl-1-oxaspiro[4.4]nonan-2-yl)-N-methylmethanamine is CNCC1(C)CCC2(CCC(C)C2)O1.
What is the InChIKey of 1-(2,8-dimethyl-1-oxaspiro[4.4]nonan-2-yl)-N-methylmethanamine?
The InChIKey is NAEVDVFNUOJOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-10-4-5-12(8-10)7-6-11(2,14-12)9-13-3/h10,13H,4-9H2,1-3H3.
What are the key properties of 1-(2,8-dimethyl-1-oxaspiro[4.4]nonan-2-yl)-N-methylmethanamine?
1-(2,8-dimethyl-1-oxaspiro[4.4]nonan-2-yl)-N-methylmethanamine has a molecular weight of 197.32 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,8-dimethyl-1-oxaspiro[4.4]nonan-2-yl)-N-methylmethanamine is sourced from PubChem (CID 130584044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).