N-ethyl-1-(4-ethylcyclohexyl)-4-methoxy-3-methylbutan-1-amine

C16H33NO — CID 105155241

IUPACN-ethyl-1-(4-ethylcyclohexyl)-4-methoxy-3-methylbutan-1-amine
SMILESCCNC(CC(C)COC)C1CCC(CC)CC1
InChIInChI=1S/C16H33NO/c1-5-14-7-9-15(10-8-14)16(17-6-2)11-13(3)12-18-4/h13-17H,5-12H2,1-4H3
InChIKeyQCJKFMKMEZKSCN-UHFFFAOYSA-N
MW255.45 g/mol
LogP3.85
Rot. Bonds8

About N-ethyl-1-(4-ethylcyclohexyl)-4-methoxy-3-methylbutan-1-amine

N-ethyl-1-(4-ethylcyclohexyl)-4-methoxy-3-methylbutan-1-amine (PubChem CID 105155241) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is N-ethyl-1-(4-ethylcyclohexyl)-4-methoxy-3-methylbutan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(4-ethylcyclohexyl)-4-methoxy-3-methylbutan-1-amine
PubChem CID105155241
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC NameN-ethyl-1-(4-ethylcyclohexyl)-4-methoxy-3-methylbutan-1-amine
SMILESCCNC(CC(C)COC)C1CCC(CC)CC1
InChIInChI=1S/C16H33NO/c1-5-14-7-9-15(10-8-14)16(17-6-2)11-13(3)12-18-4/h13-17H,5-12H2,1-4H3
InChIKeyQCJKFMKMEZKSCN-UHFFFAOYSA-N
XLogP3.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-N-ethyl-4-methoxy-3-methylbutan-1-amine
CID 105157171
N-ethyl-1-(4-ethylcyclohexyl)-3-methylbutan-1-amine
CID 64776246
N-ethyl-1-(4-ethylcyclohexyl)-2-propan-2-yloxyethanamine
CID 79575007
1-cyclopentyl-4-methoxy-3-methyl-N-propylbutan-1-amine
CID 105080973
1-cycloheptyl-N-ethyl-2-methoxyethanamine
CID 79574660
1-(4-butylcyclohexyl)-N-ethyl-3-methylpentan-1-amine
CID 115846127
N-ethyl-1-(4-ethylcyclohexyl)-N',N'-dimethylethane-1,2-diamine
CID 79092545
1-cycloheptyl-N-ethyl-3-methylpentan-1-amine
CID 65399965
N-ethyl-1-(4-ethylcyclohexyl)but-3-yn-1-amine
CID 65394787
N-ethyl-1-(4-ethylcyclohexyl)-2-methylbutan-1-amine
CID 64775258
N-ethyl-5-methoxy-4-methylpentan-2-amine
CID 79569405
1-(4,4-difluorocyclohexyl)-N-ethyl-2-methoxyethanamine
CID 105165589

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-ethylcyclohexyl)-4-methoxy-3-methylbutan-1-amine?
The IUPAC name of N-ethyl-1-(4-ethylcyclohexyl)-4-methoxy-3-methylbutan-1-amine (CID 105155241) is N-ethyl-1-(4-ethylcyclohexyl)-4-methoxy-3-methylbutan-1-amine.
What is the SMILES notation for N-ethyl-1-(4-ethylcyclohexyl)-4-methoxy-3-methylbutan-1-amine?
The canonical SMILES for N-ethyl-1-(4-ethylcyclohexyl)-4-methoxy-3-methylbutan-1-amine is CCNC(CC(C)COC)C1CCC(CC)CC1.
What is the InChIKey of N-ethyl-1-(4-ethylcyclohexyl)-4-methoxy-3-methylbutan-1-amine?
The InChIKey is QCJKFMKMEZKSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-5-14-7-9-15(10-8-14)16(17-6-2)11-13(3)12-18-4/h13-17H,5-12H2,1-4H3.
What are the key properties of N-ethyl-1-(4-ethylcyclohexyl)-4-methoxy-3-methylbutan-1-amine?
N-ethyl-1-(4-ethylcyclohexyl)-4-methoxy-3-methylbutan-1-amine has a molecular weight of 255.45 g/mol, XLogP of 3.85, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-ethylcyclohexyl)-4-methoxy-3-methylbutan-1-amine is sourced from PubChem (CID 105155241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).