1-(1-ethoxy-4-methylcyclohexyl)-N-ethyl-3-methylbutan-1-amine

C16H33NO — CID 116767273

IUPAC1-(1-ethoxy-4-methylcyclohexyl)-N-ethyl-3-methylbutan-1-amine
SMILESCCNC(CC(C)C)C1(OCC)CCC(C)CC1
InChIInChI=1S/C16H33NO/c1-6-17-15(12-13(3)4)16(18-7-2)10-8-14(5)9-11-16/h13-15,17H,6-12H2,1-5H3
InChIKeyUSASPWHBKZPOOL-UHFFFAOYSA-N
MW255.45 g/mol
LogP4.00
Rot. Bonds7

About 1-(1-ethoxy-4-methylcyclohexyl)-N-ethyl-3-methylbutan-1-amine

1-(1-ethoxy-4-methylcyclohexyl)-N-ethyl-3-methylbutan-1-amine (PubChem CID 116767273) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is 1-(1-ethoxy-4-methylcyclohexyl)-N-ethyl-3-methylbutan-1-amine.

Molecular Properties

Compound Name1-(1-ethoxy-4-methylcyclohexyl)-N-ethyl-3-methylbutan-1-amine
PubChem CID116767273
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC Name1-(1-ethoxy-4-methylcyclohexyl)-N-ethyl-3-methylbutan-1-amine
SMILESCCNC(CC(C)C)C1(OCC)CCC(C)CC1
InChIInChI=1S/C16H33NO/c1-6-17-15(12-13(3)4)16(18-7-2)10-8-14(5)9-11-16/h13-15,17H,6-12H2,1-5H3
InChIKeyUSASPWHBKZPOOL-UHFFFAOYSA-N
XLogP4.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-ethoxycyclohexyl)-N-ethyl-3-methylbutan-1-amine
CID 116764007
N-[cyclopropyl-(1-ethoxy-4-methylcyclohexyl)methyl]ethanamine
CID 116767361
1-(1-ethoxy-4-methylcyclohexyl)-N,4-dimethylpentan-1-amine
CID 116767108
[1-(1-ethoxy-4-methylcyclohexyl)-3-methylpentyl]hydrazine
CID 105277364
1-(1-ethoxy-4-methylcyclohexyl)-N-ethyl-2-pyridin-4-ylethanamine
CID 116767285
N-[2-cyclopropyl-1-(1-ethoxy-4-methylcyclohexyl)ethyl]propan-1-amine
CID 116767388
2-ethoxy-1-(1-ethoxy-4-methylcyclohexyl)-N-methylethanamine
CID 116767121
2-cyclohexyl-1-(1-ethoxycyclohexyl)-N-ethylethanamine
CID 116764108
N-ethyl-1-(1-methoxy-4-methylcyclohexyl)ethanamine
CID 116766647
1-(1-ethoxy-3-methylcyclohexyl)-N-ethyl-5-methylhexan-1-amine
CID 116768455
1-(1-ethoxy-4-methylcyclohexyl)-N,2-dimethylbutan-1-amine
CID 116767228
N-ethyl-1-(1-methoxy-4-methylcyclohexyl)-2-propan-2-yloxyethanamine
CID 116766678

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxy-4-methylcyclohexyl)-N-ethyl-3-methylbutan-1-amine?
The IUPAC name of 1-(1-ethoxy-4-methylcyclohexyl)-N-ethyl-3-methylbutan-1-amine (CID 116767273) is 1-(1-ethoxy-4-methylcyclohexyl)-N-ethyl-3-methylbutan-1-amine.
What is the SMILES notation for 1-(1-ethoxy-4-methylcyclohexyl)-N-ethyl-3-methylbutan-1-amine?
The canonical SMILES for 1-(1-ethoxy-4-methylcyclohexyl)-N-ethyl-3-methylbutan-1-amine is CCNC(CC(C)C)C1(OCC)CCC(C)CC1.
What is the InChIKey of 1-(1-ethoxy-4-methylcyclohexyl)-N-ethyl-3-methylbutan-1-amine?
The InChIKey is USASPWHBKZPOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-6-17-15(12-13(3)4)16(18-7-2)10-8-14(5)9-11-16/h13-15,17H,6-12H2,1-5H3.
What are the key properties of 1-(1-ethoxy-4-methylcyclohexyl)-N-ethyl-3-methylbutan-1-amine?
1-(1-ethoxy-4-methylcyclohexyl)-N-ethyl-3-methylbutan-1-amine has a molecular weight of 255.45 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxy-4-methylcyclohexyl)-N-ethyl-3-methylbutan-1-amine is sourced from PubChem (CID 116767273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).