1-(1-ethoxy-3-methylcyclohexyl)-2-ethylbutan-1-amine

C15H31NO — CID 116768094

IUPAC1-(1-ethoxy-3-methylcyclohexyl)-2-ethylbutan-1-amine
SMILESCCOC1(C(N)C(CC)CC)CCCC(C)C1
InChIInChI=1S/C15H31NO/c1-5-13(6-2)14(16)15(17-7-3)10-8-9-12(4)11-15/h12-14H,5-11,16H2,1-4H3
InChIKeyZQQXVKGCDIWSMR-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.74
Rot. Bonds6

About 1-(1-ethoxy-3-methylcyclohexyl)-2-ethylbutan-1-amine

1-(1-ethoxy-3-methylcyclohexyl)-2-ethylbutan-1-amine (PubChem CID 116768094) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 1-(1-ethoxy-3-methylcyclohexyl)-2-ethylbutan-1-amine.

Molecular Properties

Compound Name1-(1-ethoxy-3-methylcyclohexyl)-2-ethylbutan-1-amine
PubChem CID116768094
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name1-(1-ethoxy-3-methylcyclohexyl)-2-ethylbutan-1-amine
SMILESCCOC1(C(N)C(CC)CC)CCCC(C)C1
InChIInChI=1S/C15H31NO/c1-5-13(6-2)14(16)15(17-7-3)10-8-9-12(4)11-15/h12-14H,5-11,16H2,1-4H3
InChIKeyZQQXVKGCDIWSMR-UHFFFAOYSA-N
XLogP3.74
TPSA35.25 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 ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-1-(1-ethoxy-3-methylcyclohexyl)ethanamine
CID 116767988
1-(1-ethoxy-3-methylcyclohexyl)-2-methoxyethanamine
CID 116768089
(1-ethoxy-3-methylcyclohexyl)-(4-methylcyclohexyl)methanamine
CID 116768084
cycloheptyl-(1-ethoxy-3-methylcyclohexyl)methanamine
CID 116768145
cyclopropyl-(1-ethoxy-3-methylcyclohexyl)methanol
CID 116755285
1-(1-ethoxy-3-methylcyclohexyl)-2,2-dimethylpropan-1-ol
CID 116755351
1-(1-ethoxy-3-methylcyclohexyl)-2-methylpropan-1-ol
CID 116755202
1-(1-ethoxy-3-methylcyclohexyl)-3-methylidenepentan-1-amine
CID 116768117
1-(1-ethoxy-3-methylcyclohexyl)butan-1-ol
CID 116755188
1-(1-ethoxy-3-methylcyclohexyl)-2-methoxy-N-methylethanamine
CID 116768285
N-[cycloheptyl-(1-ethoxy-3-methylcyclohexyl)methyl]ethanamine
CID 116768449
N-[cyclohexyl-(1-ethoxy-3-methylcyclohexyl)methyl]ethanamine
CID 116768366

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxy-3-methylcyclohexyl)-2-ethylbutan-1-amine?
The IUPAC name of 1-(1-ethoxy-3-methylcyclohexyl)-2-ethylbutan-1-amine (CID 116768094) is 1-(1-ethoxy-3-methylcyclohexyl)-2-ethylbutan-1-amine.
What is the SMILES notation for 1-(1-ethoxy-3-methylcyclohexyl)-2-ethylbutan-1-amine?
The canonical SMILES for 1-(1-ethoxy-3-methylcyclohexyl)-2-ethylbutan-1-amine is CCOC1(C(N)C(CC)CC)CCCC(C)C1.
What is the InChIKey of 1-(1-ethoxy-3-methylcyclohexyl)-2-ethylbutan-1-amine?
The InChIKey is ZQQXVKGCDIWSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-5-13(6-2)14(16)15(17-7-3)10-8-9-12(4)11-15/h12-14H,5-11,16H2,1-4H3.
What are the key properties of 1-(1-ethoxy-3-methylcyclohexyl)-2-ethylbutan-1-amine?
1-(1-ethoxy-3-methylcyclohexyl)-2-ethylbutan-1-amine has a molecular weight of 241.42 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxy-3-methylcyclohexyl)-2-ethylbutan-1-amine is sourced from PubChem (CID 116768094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).