(6,9-dimethyl-1-oxaspiro[4.5]decan-2-yl)methanamine

C12H23NO — CID 126983726

IUPAC(6,9-dimethyl-1-oxaspiro[4.5]decan-2-yl)methanamine
SMILESCC1CCC(C)C2(CCC(CN)O2)C1
InChIInChI=1S/C12H23NO/c1-9-3-4-10(2)12(7-9)6-5-11(8-13)14-12/h9-11H,3-8,13H2,1-2H3
InChIKeyLONNSNNKTXDVAP-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.32
Rot. Bonds1

About (6,9-dimethyl-1-oxaspiro[4.5]decan-2-yl)methanamine

(6,9-dimethyl-1-oxaspiro[4.5]decan-2-yl)methanamine (PubChem CID 126983726) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is (6,9-dimethyl-1-oxaspiro[4.5]decan-2-yl)methanamine.

Molecular Properties

Compound Name(6,9-dimethyl-1-oxaspiro[4.5]decan-2-yl)methanamine
PubChem CID126983726
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name(6,9-dimethyl-1-oxaspiro[4.5]decan-2-yl)methanamine
SMILESCC1CCC(C)C2(CCC(CN)O2)C1
InChIInChI=1S/C12H23NO/c1-9-3-4-10(2)12(7-9)6-5-11(8-13)14-12/h9-11H,3-8,13H2,1-2H3
InChIKeyLONNSNNKTXDVAP-UHFFFAOYSA-N
XLogP2.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-cyclopropyl-5-ethyloxolan-2-yl)methanamine
CID 130583613
[5-(2,2-dimethylpropyl)-5-methyloxolan-2-yl]methanamine
CID 131048430
1-oxaspiro[4.7]dodecan-2-ylmethanamine
CID 130583709
(8-methyl-1,4-dioxaspiro[4.5]decan-3-yl)methanamine
CID 55263052
2,2,8,11-tetramethyl-1-oxa-4-azaspiro[5.5]undecane
CID 65126747
2-ethyl-2,8,11-trimethyl-1-oxa-4-azaspiro[5.5]undecane
CID 114497312
2,5,11,14-tetramethyl-7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecane
CID 10469126
(2-methyl-5-oxaspiro[2.4]heptan-6-yl)methanamine
CID 155895836
[2,5-dimethyl-1-(3-methylmorpholin-4-yl)cyclohexyl]methanamine
CID 64760752
[(2R,4S)-4-methyloxolan-2-yl]methanamine
CID 124578103
[2,5-dimethyl-1-(2-methylpyrrolidin-1-yl)cyclohexyl]methanamine
CID 64760563
(8-methyl-1,4-dioxaspiro[4.6]undecan-3-yl)methanamine
CID 82777122

Frequently Asked Questions

What is the IUPAC name of (6,9-dimethyl-1-oxaspiro[4.5]decan-2-yl)methanamine?
The IUPAC name of (6,9-dimethyl-1-oxaspiro[4.5]decan-2-yl)methanamine (CID 126983726) is (6,9-dimethyl-1-oxaspiro[4.5]decan-2-yl)methanamine.
What is the SMILES notation for (6,9-dimethyl-1-oxaspiro[4.5]decan-2-yl)methanamine?
The canonical SMILES for (6,9-dimethyl-1-oxaspiro[4.5]decan-2-yl)methanamine is CC1CCC(C)C2(CCC(CN)O2)C1.
What is the InChIKey of (6,9-dimethyl-1-oxaspiro[4.5]decan-2-yl)methanamine?
The InChIKey is LONNSNNKTXDVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-9-3-4-10(2)12(7-9)6-5-11(8-13)14-12/h9-11H,3-8,13H2,1-2H3.
What are the key properties of (6,9-dimethyl-1-oxaspiro[4.5]decan-2-yl)methanamine?
(6,9-dimethyl-1-oxaspiro[4.5]decan-2-yl)methanamine has a molecular weight of 197.32 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6,9-dimethyl-1-oxaspiro[4.5]decan-2-yl)methanamine is sourced from PubChem (CID 126983726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).