1-(3,4-dimethylcyclohexyl)-2-ethoxy-2-methyl-N-propylbutan-1-amine

C18H37NO — CID 116759426

IUPAC1-(3,4-dimethylcyclohexyl)-2-ethoxy-2-methyl-N-propylbutan-1-amine
SMILESCCCNC(C1CCC(C)C(C)C1)C(C)(CC)OCC
InChIInChI=1S/C18H37NO/c1-7-12-19-17(18(6,8-2)20-9-3)16-11-10-14(4)15(5)13-16/h14-17,19H,7-13H2,1-6H3
InChIKeyKXUPAZCIUBEWPZ-UHFFFAOYSA-N
MW283.50 g/mol
LogP4.63
Rot. Bonds8

About 1-(3,4-dimethylcyclohexyl)-2-ethoxy-2-methyl-N-propylbutan-1-amine

1-(3,4-dimethylcyclohexyl)-2-ethoxy-2-methyl-N-propylbutan-1-amine (PubChem CID 116759426) has the molecular formula C18H37NO and a molecular weight of 283.50 g/mol. Its IUPAC name is 1-(3,4-dimethylcyclohexyl)-2-ethoxy-2-methyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(3,4-dimethylcyclohexyl)-2-ethoxy-2-methyl-N-propylbutan-1-amine
PubChem CID116759426
Molecular FormulaC18H37NO
Molecular Weight283.50 g/mol
Exact Mass283.29
IUPAC Name1-(3,4-dimethylcyclohexyl)-2-ethoxy-2-methyl-N-propylbutan-1-amine
SMILESCCCNC(C1CCC(C)C(C)C1)C(C)(CC)OCC
InChIInChI=1S/C18H37NO/c1-7-12-19-17(18(6,8-2)20-9-3)16-11-10-14(4)15(5)13-16/h14-17,19H,7-13H2,1-6H3
InChIKeyKXUPAZCIUBEWPZ-UHFFFAOYSA-N
XLogP4.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-6-methylheptyl]-4-methylcyclohexanamine
CID 4911193
N-[[4-propan-2-yl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-2-amine
CID 62108900
N-[[4-propan-2-yl-1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]propan-2-amine
CID 66277029
N-[[4-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]propan-2-amine
CID 81033482
N-[[1-(2,2-difluoroethoxy)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine
CID 82005850
N-[[4-propyl-1-(3,3,3-trifluoropropoxy)cyclohexyl]methyl]propan-2-amine
CID 82962864
N-[[4-propan-2-yl-1-(3,3,3-trifluoropropoxy)cyclohexyl]methyl]propan-2-amine
CID 82962975
1-(3,4-dimethylcyclohexyl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103215467
1-(3,4-dimethylcyclohexyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103215472
N-[1-(3,4-dimethylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 103215474
1-(3,4-dimethylcyclohexyl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 103475520
1-(3,4-dimethylcyclohexyl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 103475793

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylcyclohexyl)-2-ethoxy-2-methyl-N-propylbutan-1-amine?
The IUPAC name of 1-(3,4-dimethylcyclohexyl)-2-ethoxy-2-methyl-N-propylbutan-1-amine (CID 116759426) is 1-(3,4-dimethylcyclohexyl)-2-ethoxy-2-methyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-(3,4-dimethylcyclohexyl)-2-ethoxy-2-methyl-N-propylbutan-1-amine?
The canonical SMILES for 1-(3,4-dimethylcyclohexyl)-2-ethoxy-2-methyl-N-propylbutan-1-amine is CCCNC(C1CCC(C)C(C)C1)C(C)(CC)OCC.
What is the InChIKey of 1-(3,4-dimethylcyclohexyl)-2-ethoxy-2-methyl-N-propylbutan-1-amine?
The InChIKey is KXUPAZCIUBEWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO/c1-7-12-19-17(18(6,8-2)20-9-3)16-11-10-14(4)15(5)13-16/h14-17,19H,7-13H2,1-6H3.
What are the key properties of 1-(3,4-dimethylcyclohexyl)-2-ethoxy-2-methyl-N-propylbutan-1-amine?
1-(3,4-dimethylcyclohexyl)-2-ethoxy-2-methyl-N-propylbutan-1-amine has a molecular weight of 283.50 g/mol, XLogP of 4.63, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylcyclohexyl)-2-ethoxy-2-methyl-N-propylbutan-1-amine is sourced from PubChem (CID 116759426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).