1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-N-methoxy-N-methylmethanamine

C12H24N2O — CID 114396569

IUPAC1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-N-methoxy-N-methylmethanamine
SMILESCON(C)CC1CCC2CCCCC2N1
InChIInChI=1S/C12H24N2O/c1-14(15-2)9-11-8-7-10-5-3-4-6-12(10)13-11/h10-13H,3-9H2,1-2H3
InChIKeyXNIXOBFTBLDDHL-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.79
Rot. Bonds3

About 1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-N-methoxy-N-methylmethanamine

1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-N-methoxy-N-methylmethanamine (PubChem CID 114396569) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-N-methoxy-N-methylmethanamine.

Molecular Properties

Compound Name1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-N-methoxy-N-methylmethanamine
PubChem CID114396569
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-N-methoxy-N-methylmethanamine
SMILESCON(C)CC1CCC2CCCCC2N1
InChIInChI=1S/C12H24N2O/c1-14(15-2)9-11-8-7-10-5-3-4-6-12(10)13-11/h10-13H,3-9H2,1-2H3
InChIKeyXNIXOBFTBLDDHL-UHFFFAOYSA-N
XLogP1.79
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-N-methoxy-N-methylmethanamine with MolForge

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Related Compounds

1-Oxido-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium
CID 18542553
Azane;2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
CID 21106193
2-Methyl-1-oxido-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium
CID 87710964
(E)-N-methoxy-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-imine
CID 118116287
N-methoxy-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-imine
CID 123301433
2-Cyclohexyl-1-propan-2-yloxypiperazine
CID 139947776
3-nitro-N-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-amine
CID 140460421
N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-8-amine
CID 140521183
ethane;1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-3-amine
CID 142426466
1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-3-amine
CID 142426467
2-Methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-2-ium
CID 145844976
1-ethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-3-amine
CID 170328402

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-N-methoxy-N-methylmethanamine?
The IUPAC name of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-N-methoxy-N-methylmethanamine (CID 114396569) is 1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-N-methoxy-N-methylmethanamine.
What is the SMILES notation for 1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-N-methoxy-N-methylmethanamine?
The canonical SMILES for 1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-N-methoxy-N-methylmethanamine is CON(C)CC1CCC2CCCCC2N1.
What is the InChIKey of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-N-methoxy-N-methylmethanamine?
The InChIKey is XNIXOBFTBLDDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-14(15-2)9-11-8-7-10-5-3-4-6-12(10)13-11/h10-13H,3-9H2,1-2H3.
What are the key properties of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-N-methoxy-N-methylmethanamine?
1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-N-methoxy-N-methylmethanamine has a molecular weight of 212.34 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-N-methoxy-N-methylmethanamine is sourced from PubChem (CID 114396569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).