1-(3,4-dimethylcyclohexyl)-4-methoxy-N,3-dimethylbutan-1-amine

C15H31NO — CID 105154616

IUPAC1-(3,4-dimethylcyclohexyl)-4-methoxy-N,3-dimethylbutan-1-amine
SMILESCNC(CC(C)COC)C1CCC(C)C(C)C1
InChIInChI=1S/C15H31NO/c1-11(10-17-5)8-15(16-4)14-7-6-12(2)13(3)9-14/h11-16H,6-10H2,1-5H3
InChIKeyJEUXLVYARQDGKY-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.32
Rot. Bonds6

About 1-(3,4-dimethylcyclohexyl)-4-methoxy-N,3-dimethylbutan-1-amine

1-(3,4-dimethylcyclohexyl)-4-methoxy-N,3-dimethylbutan-1-amine (PubChem CID 105154616) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 1-(3,4-dimethylcyclohexyl)-4-methoxy-N,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(3,4-dimethylcyclohexyl)-4-methoxy-N,3-dimethylbutan-1-amine
PubChem CID105154616
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name1-(3,4-dimethylcyclohexyl)-4-methoxy-N,3-dimethylbutan-1-amine
SMILESCNC(CC(C)COC)C1CCC(C)C(C)C1
InChIInChI=1S/C15H31NO/c1-11(10-17-5)8-15(16-4)14-7-6-12(2)13(3)9-14/h11-16H,6-10H2,1-5H3
InChIKeyJEUXLVYARQDGKY-UHFFFAOYSA-N
XLogP3.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(4-methylcyclohexyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 55093564
N-methyl-1-(3-methylcyclohexyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 55094199
N-methyl-4-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 62738838
N-methyl-1-[4-propan-2-yl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine
CID 81025585
N-methyl-1-[4-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine
CID 81026070
N-[[4-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]ethanamine
CID 81031946
1-[4-ethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]-N-methylmethanamine
CID 81032226
N-methyl-1-[4-propyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine
CID 81032573
N-[[4-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]propan-2-amine
CID 81033482
4-methoxy-N,4-dimethyl-1-[2-(trifluoromethyl)cyclohexyl]pentan-1-amine
CID 103031713
1-(3,4-dimethylcyclohexyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148367
1-(3,4-dimethylcyclohexyl)-N-ethyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148585

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylcyclohexyl)-4-methoxy-N,3-dimethylbutan-1-amine?
The IUPAC name of 1-(3,4-dimethylcyclohexyl)-4-methoxy-N,3-dimethylbutan-1-amine (CID 105154616) is 1-(3,4-dimethylcyclohexyl)-4-methoxy-N,3-dimethylbutan-1-amine.
What is the SMILES notation for 1-(3,4-dimethylcyclohexyl)-4-methoxy-N,3-dimethylbutan-1-amine?
The canonical SMILES for 1-(3,4-dimethylcyclohexyl)-4-methoxy-N,3-dimethylbutan-1-amine is CNC(CC(C)COC)C1CCC(C)C(C)C1.
What is the InChIKey of 1-(3,4-dimethylcyclohexyl)-4-methoxy-N,3-dimethylbutan-1-amine?
The InChIKey is JEUXLVYARQDGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-11(10-17-5)8-15(16-4)14-7-6-12(2)13(3)9-14/h11-16H,6-10H2,1-5H3.
What are the key properties of 1-(3,4-dimethylcyclohexyl)-4-methoxy-N,3-dimethylbutan-1-amine?
1-(3,4-dimethylcyclohexyl)-4-methoxy-N,3-dimethylbutan-1-amine has a molecular weight of 241.42 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylcyclohexyl)-4-methoxy-N,3-dimethylbutan-1-amine is sourced from PubChem (CID 105154616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).