1-(4-tert-butylcyclohexyl)-2-ethoxy-N-ethylethanamine

C16H33NO — CID 79574193

IUPAC1-(4-tert-butylcyclohexyl)-2-ethoxy-N-ethylethanamine
SMILESCCNC(COCC)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H33NO/c1-6-17-15(12-18-7-2)13-8-10-14(11-9-13)16(3,4)5/h13-15,17H,6-12H2,1-5H3
InChIKeyWGUGGKZBWIJAEH-UHFFFAOYSA-N
MW255.45 g/mol
LogP3.85
Rot. Bonds6

About 1-(4-tert-butylcyclohexyl)-2-ethoxy-N-ethylethanamine

1-(4-tert-butylcyclohexyl)-2-ethoxy-N-ethylethanamine (PubChem CID 79574193) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is 1-(4-tert-butylcyclohexyl)-2-ethoxy-N-ethylethanamine.

Molecular Properties

Compound Name1-(4-tert-butylcyclohexyl)-2-ethoxy-N-ethylethanamine
PubChem CID79574193
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC Name1-(4-tert-butylcyclohexyl)-2-ethoxy-N-ethylethanamine
SMILESCCNC(COCC)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H33NO/c1-6-17-15(12-18-7-2)13-8-10-14(11-9-13)16(3,4)5/h13-15,17H,6-12H2,1-5H3
InChIKeyWGUGGKZBWIJAEH-UHFFFAOYSA-N
XLogP3.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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-(4,4-difluorocyclohexyl)-2-ethoxy-N-ethylethanamine
CID 105165065
1-(4-tert-butylcyclohexyl)-N-ethylheptan-1-amine
CID 65414527
2-butoxy-1-cyclopentyl-N-ethylethanamine
CID 104749090
1-cyclopropyl-N-ethyl-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethanamine
CID 102722000
1-(4-tert-butylcyclohexyl)-N-ethyl-2-(furan-3-yl)ethanamine
CID 83175651
1-(4-tert-butylcyclohexyl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine
CID 79751363
2-(4-tert-butylcyclohexyl)-2-(ethylamino)acetic acid
CID 104575539
1-(4-tert-butylcyclohexyl)-3-methyl-N-propylbut-3-en-1-amine
CID 79185086
1-cyclohexyl-N-ethyl-2-(2-methoxyethoxy)ethanamine
CID 104748657
1-cyclohexyl-N-ethyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine
CID 106447381
1-(4,4-dimethylcyclohexyl)-N-ethyl-2-propoxyethanamine
CID 79573964
1-(4-tert-butylcyclohexyl)-N-ethyl-2-pyridin-3-ylethanamine
CID 104736394

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylcyclohexyl)-2-ethoxy-N-ethylethanamine?
The IUPAC name of 1-(4-tert-butylcyclohexyl)-2-ethoxy-N-ethylethanamine (CID 79574193) is 1-(4-tert-butylcyclohexyl)-2-ethoxy-N-ethylethanamine.
What is the SMILES notation for 1-(4-tert-butylcyclohexyl)-2-ethoxy-N-ethylethanamine?
The canonical SMILES for 1-(4-tert-butylcyclohexyl)-2-ethoxy-N-ethylethanamine is CCNC(COCC)C1CCC(C(C)(C)C)CC1.
What is the InChIKey of 1-(4-tert-butylcyclohexyl)-2-ethoxy-N-ethylethanamine?
The InChIKey is WGUGGKZBWIJAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-6-17-15(12-18-7-2)13-8-10-14(11-9-13)16(3,4)5/h13-15,17H,6-12H2,1-5H3.
What are the key properties of 1-(4-tert-butylcyclohexyl)-2-ethoxy-N-ethylethanamine?
1-(4-tert-butylcyclohexyl)-2-ethoxy-N-ethylethanamine has a molecular weight of 255.45 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylcyclohexyl)-2-ethoxy-N-ethylethanamine is sourced from PubChem (CID 79574193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).