1-(3,5-dimethylcyclohexyl)-N-ethyl-4-methoxypentan-1-amine

C16H33NO — CID 105154227

IUPAC1-(3,5-dimethylcyclohexyl)-N-ethyl-4-methoxypentan-1-amine
SMILESCCNC(CCC(C)OC)C1CC(C)CC(C)C1
InChIInChI=1S/C16H33NO/c1-6-17-16(8-7-14(4)18-5)15-10-12(2)9-13(3)11-15/h12-17H,6-11H2,1-5H3
InChIKeyTWCFCLDEMZUMNK-UHFFFAOYSA-N
MW255.45 g/mol
LogP3.85
Rot. Bonds7

About 1-(3,5-dimethylcyclohexyl)-N-ethyl-4-methoxypentan-1-amine

1-(3,5-dimethylcyclohexyl)-N-ethyl-4-methoxypentan-1-amine (PubChem CID 105154227) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is 1-(3,5-dimethylcyclohexyl)-N-ethyl-4-methoxypentan-1-amine.

Molecular Properties

Compound Name1-(3,5-dimethylcyclohexyl)-N-ethyl-4-methoxypentan-1-amine
PubChem CID105154227
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC Name1-(3,5-dimethylcyclohexyl)-N-ethyl-4-methoxypentan-1-amine
SMILESCCNC(CCC(C)OC)C1CC(C)CC(C)C1
InChIInChI=1S/C16H33NO/c1-6-17-16(8-7-14(4)18-5)15-10-12(2)9-13(3)11-15/h12-17H,6-11H2,1-5H3
InChIKeyTWCFCLDEMZUMNK-UHFFFAOYSA-N
XLogP3.85
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 ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluoro-3-methoxycyclohexyl)-N-methylpropan-1-amine
CID 90980813
N-[3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-6-methylheptyl]-4-methylcyclohexanamine
CID 4911193
N-Methyl-2-[(oxolan-2-yl)methyl]cyclohexan-1-amine
CID 13025937
1-(4,4-difluorocyclohexyl)-4-methoxy-4-methyl-N-propylpentan-1-amine
CID 103031508
N-ethyl-4-methoxy-4-methyl-1-[3-(trifluoromethyl)cyclohexyl]pentan-1-amine
CID 103031840
1-(4,4-difluorocyclohexyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 105156908
N-ethyl-3-(oxolan-2-yl)-1-[3-(trifluoromethyl)cyclohexyl]propan-1-amine
CID 105156973
1-(4,4-difluorocyclohexyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine
CID 105184995
4-methoxy-2-methyl-N-propyl-1-[3-(trifluoromethyl)cyclohexyl]butan-1-amine
CID 105185000
1-(4,4-difluorocyclohexyl)-4-methoxy-2-methyl-N-propylbutan-1-amine
CID 105185078
4-methoxy-N,2-dimethyl-1-[3-(trifluoromethyl)cyclohexyl]butan-1-amine
CID 105185093
N-ethyl-4-methoxy-2-methyl-1-[3-(trifluoromethyl)cyclohexyl]butan-1-amine
CID 105185146

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylcyclohexyl)-N-ethyl-4-methoxypentan-1-amine?
The IUPAC name of 1-(3,5-dimethylcyclohexyl)-N-ethyl-4-methoxypentan-1-amine (CID 105154227) is 1-(3,5-dimethylcyclohexyl)-N-ethyl-4-methoxypentan-1-amine.
What is the SMILES notation for 1-(3,5-dimethylcyclohexyl)-N-ethyl-4-methoxypentan-1-amine?
The canonical SMILES for 1-(3,5-dimethylcyclohexyl)-N-ethyl-4-methoxypentan-1-amine is CCNC(CCC(C)OC)C1CC(C)CC(C)C1.
What is the InChIKey of 1-(3,5-dimethylcyclohexyl)-N-ethyl-4-methoxypentan-1-amine?
The InChIKey is TWCFCLDEMZUMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-6-17-16(8-7-14(4)18-5)15-10-12(2)9-13(3)11-15/h12-17H,6-11H2,1-5H3.
What are the key properties of 1-(3,5-dimethylcyclohexyl)-N-ethyl-4-methoxypentan-1-amine?
1-(3,5-dimethylcyclohexyl)-N-ethyl-4-methoxypentan-1-amine has a molecular weight of 255.45 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylcyclohexyl)-N-ethyl-4-methoxypentan-1-amine is sourced from PubChem (CID 105154227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).