N-(methoxymethyl)-1-(4-methoxy-2-methylcyclohexyl)-N-methylmethanamine

C12H25NO2 — CID 90953868

IUPACN-(methoxymethyl)-1-(4-methoxy-2-methylcyclohexyl)-N-methylmethanamine
SMILESCOCN(C)CC1CCC(OC)CC1C
InChIInChI=1S/C12H25NO2/c1-10-7-12(15-4)6-5-11(10)8-13(2)9-14-3/h10-12H,5-9H2,1-4H3
InChIKeyRJKAEXOYOALGSL-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.97
Rot. Bonds5

About N-(methoxymethyl)-1-(4-methoxy-2-methylcyclohexyl)-N-methylmethanamine

N-(methoxymethyl)-1-(4-methoxy-2-methylcyclohexyl)-N-methylmethanamine (PubChem CID 90953868) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is N-(methoxymethyl)-1-(4-methoxy-2-methylcyclohexyl)-N-methylmethanamine.

Molecular Properties

Compound NameN-(methoxymethyl)-1-(4-methoxy-2-methylcyclohexyl)-N-methylmethanamine
PubChem CID90953868
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC NameN-(methoxymethyl)-1-(4-methoxy-2-methylcyclohexyl)-N-methylmethanamine
SMILESCOCN(C)CC1CCC(OC)CC1C
InChIInChI=1S/C12H25NO2/c1-10-7-12(15-4)6-5-11(10)8-13(2)9-14-3/h10-12H,5-9H2,1-4H3
InChIKeyRJKAEXOYOALGSL-UHFFFAOYSA-N
XLogP1.97
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

5-Methoxy-2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 57672091
(3aS,7aR)-5-methoxy-2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 57979735
(3aR,7aS)-5-methoxy-2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 134400034
(3aR,5S,7aS)-5-methoxy-2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 134400264
(5S,7aS)-5-methoxy-2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 134400308
Ethane;5-methoxy-2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 142312716
(7aR)-5-methoxy-2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 142312865
N-methyl-N-[(4-propan-2-yloxycyclohexyl)methyl]propan-1-amine
CID 163967088
5-(3,4-dimethylcyclohexyl)oxy-N-methylpentan-1-amine
CID 64739334
N-[(4-methoxycyclohexyl)methyl]-N-nonylnonan-1-amine
CID 168924384

Frequently Asked Questions

What is the IUPAC name of N-(methoxymethyl)-1-(4-methoxy-2-methylcyclohexyl)-N-methylmethanamine?
The IUPAC name of N-(methoxymethyl)-1-(4-methoxy-2-methylcyclohexyl)-N-methylmethanamine (CID 90953868) is N-(methoxymethyl)-1-(4-methoxy-2-methylcyclohexyl)-N-methylmethanamine.
What is the SMILES notation for N-(methoxymethyl)-1-(4-methoxy-2-methylcyclohexyl)-N-methylmethanamine?
The canonical SMILES for N-(methoxymethyl)-1-(4-methoxy-2-methylcyclohexyl)-N-methylmethanamine is COCN(C)CC1CCC(OC)CC1C.
What is the InChIKey of N-(methoxymethyl)-1-(4-methoxy-2-methylcyclohexyl)-N-methylmethanamine?
The InChIKey is RJKAEXOYOALGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-10-7-12(15-4)6-5-11(10)8-13(2)9-14-3/h10-12H,5-9H2,1-4H3.
What are the key properties of N-(methoxymethyl)-1-(4-methoxy-2-methylcyclohexyl)-N-methylmethanamine?
N-(methoxymethyl)-1-(4-methoxy-2-methylcyclohexyl)-N-methylmethanamine has a molecular weight of 215.34 g/mol, XLogP of 1.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methoxymethyl)-1-(4-methoxy-2-methylcyclohexyl)-N-methylmethanamine is sourced from PubChem (CID 90953868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).