N-ethyl-1-(1-methoxy-4-methylcyclohexyl)-2-propan-2-yloxyethanamine

C15H31NO2 — CID 116766678

IUPACN-ethyl-1-(1-methoxy-4-methylcyclohexyl)-2-propan-2-yloxyethanamine
SMILESCCNC(COC(C)C)C1(OC)CCC(C)CC1
InChIInChI=1S/C15H31NO2/c1-6-16-14(11-18-12(2)3)15(17-5)9-7-13(4)8-10-15/h12-14,16H,6-11H2,1-5H3
InChIKeyPGFSTJOVQDHRJU-UHFFFAOYSA-N
MW257.42 g/mol
LogP2.98
Rot. Bonds7

About N-ethyl-1-(1-methoxy-4-methylcyclohexyl)-2-propan-2-yloxyethanamine

N-ethyl-1-(1-methoxy-4-methylcyclohexyl)-2-propan-2-yloxyethanamine (PubChem CID 116766678) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is N-ethyl-1-(1-methoxy-4-methylcyclohexyl)-2-propan-2-yloxyethanamine.

Molecular Properties

Compound NameN-ethyl-1-(1-methoxy-4-methylcyclohexyl)-2-propan-2-yloxyethanamine
PubChem CID116766678
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC NameN-ethyl-1-(1-methoxy-4-methylcyclohexyl)-2-propan-2-yloxyethanamine
SMILESCCNC(COC(C)C)C1(OC)CCC(C)CC1
InChIInChI=1S/C15H31NO2/c1-6-16-14(11-18-12(2)3)15(17-5)9-7-13(4)8-10-15/h12-14,16H,6-11H2,1-5H3
InChIKeyPGFSTJOVQDHRJU-UHFFFAOYSA-N
XLogP2.98
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(1-methoxy-4-methylcyclohexyl)ethanamine
CID 116766647
N-ethyl-1-(1-methoxy-4-methylcyclohexyl)nonan-1-amine
CID 116766596
N-ethyl-4-methoxy-1-(1-methoxy-4-methylcyclohexyl)-4-methylpentan-1-amine
CID 103036122
N-ethyl-1-(1-methoxy-4-methylcyclohexyl)hex-5-en-1-amine
CID 116766659
N-ethyl-1-(1-methoxy-4-methylcyclohexyl)oct-7-en-1-amine
CID 107009746
2-(2-chlorophenyl)-N-ethyl-1-(1-methoxy-4-methylcyclohexyl)ethanamine
CID 116766631
N-ethyl-2-(2-fluorophenyl)-1-(1-methoxy-4-methylcyclohexyl)ethanamine
CID 116766591
1-(1-ethoxy-4-methylcyclohexyl)-N-ethyl-3-methylbutan-1-amine
CID 116767273
N-ethyl-1-(1-methoxy-4-methylcyclohexyl)-3-thiophen-2-ylpropan-1-amine
CID 116766642
2-ethoxy-N-ethyl-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine
CID 116769556
[1-(1-methoxy-3-methylcyclohexyl)-2-propan-2-yloxyethyl]hydrazine
CID 105277619
N-[1-(1-methoxy-4-methylcyclohexyl)-2-(oxan-4-yl)ethyl]propan-1-amine
CID 116766778

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1-methoxy-4-methylcyclohexyl)-2-propan-2-yloxyethanamine?
The IUPAC name of N-ethyl-1-(1-methoxy-4-methylcyclohexyl)-2-propan-2-yloxyethanamine (CID 116766678) is N-ethyl-1-(1-methoxy-4-methylcyclohexyl)-2-propan-2-yloxyethanamine.
What is the SMILES notation for N-ethyl-1-(1-methoxy-4-methylcyclohexyl)-2-propan-2-yloxyethanamine?
The canonical SMILES for N-ethyl-1-(1-methoxy-4-methylcyclohexyl)-2-propan-2-yloxyethanamine is CCNC(COC(C)C)C1(OC)CCC(C)CC1.
What is the InChIKey of N-ethyl-1-(1-methoxy-4-methylcyclohexyl)-2-propan-2-yloxyethanamine?
The InChIKey is PGFSTJOVQDHRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-6-16-14(11-18-12(2)3)15(17-5)9-7-13(4)8-10-15/h12-14,16H,6-11H2,1-5H3.
What are the key properties of N-ethyl-1-(1-methoxy-4-methylcyclohexyl)-2-propan-2-yloxyethanamine?
N-ethyl-1-(1-methoxy-4-methylcyclohexyl)-2-propan-2-yloxyethanamine has a molecular weight of 257.42 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1-methoxy-4-methylcyclohexyl)-2-propan-2-yloxyethanamine is sourced from PubChem (CID 116766678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).