1-(4-tert-butylcyclohexyl)-N-ethyl-2-(furan-3-yl)ethanamine

C18H31NO — CID 83175651

IUPAC1-(4-tert-butylcyclohexyl)-N-ethyl-2-(furan-3-yl)ethanamine
SMILESCCNC(Cc1ccoc1)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C18H31NO/c1-5-19-17(12-14-10-11-20-13-14)15-6-8-16(9-7-15)18(2,3)4/h10-11,13,15-17,19H,5-9,12H2,1-4H3
InChIKeyVIEOYZQDVGOXFY-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.65
Rot. Bonds5

About 1-(4-tert-butylcyclohexyl)-N-ethyl-2-(furan-3-yl)ethanamine

1-(4-tert-butylcyclohexyl)-N-ethyl-2-(furan-3-yl)ethanamine (PubChem CID 83175651) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 1-(4-tert-butylcyclohexyl)-N-ethyl-2-(furan-3-yl)ethanamine.

Molecular Properties

Compound Name1-(4-tert-butylcyclohexyl)-N-ethyl-2-(furan-3-yl)ethanamine
PubChem CID83175651
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name1-(4-tert-butylcyclohexyl)-N-ethyl-2-(furan-3-yl)ethanamine
SMILESCCNC(Cc1ccoc1)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C18H31NO/c1-5-19-17(12-14-10-11-20-13-14)15-6-8-16(9-7-15)18(2,3)4/h10-11,13,15-17,19H,5-9,12H2,1-4H3
InChIKeyVIEOYZQDVGOXFY-UHFFFAOYSA-N
XLogP4.65
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(3-ethylcyclopentyl)-2-(furan-3-yl)ethanamine
CID 83175352
1-(4-tert-butylcyclohexyl)-2-(furan-3-yl)ethanamine
CID 83175246
[1-cyclopropyl-2-(furan-3-yl)ethyl]hydrazine
CID 105202437
1-(4-tert-butylcyclohexyl)-N-ethyl-2-pyridin-3-ylethanamine
CID 104736394
N-[2-(furan-3-yl)-1-(oxan-4-yl)ethyl]propan-1-amine
CID 83175844
2-(furan-3-yl)-N-methyl-1-(4-propylcyclohexyl)ethanamine
CID 83175553
1-(4-tert-butylcyclohexyl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine
CID 79751363
1-cyclobutyl-2-(furan-3-yl)-N-methylethanamine
CID 83175338
N-[2-(furan-3-yl)-1-(thiolan-3-yl)ethyl]propan-1-amine
CID 105177672
N-[2-(furan-3-yl)-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 83175448
1-(4,4-dimethylcyclohexyl)-2-(furan-3-yl)-N-methylethanamine
CID 83174667
1-cyclopropyl-N-ethyl-2-pyridin-4-ylethanamine
CID 63355352

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylcyclohexyl)-N-ethyl-2-(furan-3-yl)ethanamine?
The IUPAC name of 1-(4-tert-butylcyclohexyl)-N-ethyl-2-(furan-3-yl)ethanamine (CID 83175651) is 1-(4-tert-butylcyclohexyl)-N-ethyl-2-(furan-3-yl)ethanamine.
What is the SMILES notation for 1-(4-tert-butylcyclohexyl)-N-ethyl-2-(furan-3-yl)ethanamine?
The canonical SMILES for 1-(4-tert-butylcyclohexyl)-N-ethyl-2-(furan-3-yl)ethanamine is CCNC(Cc1ccoc1)C1CCC(C(C)(C)C)CC1.
What is the InChIKey of 1-(4-tert-butylcyclohexyl)-N-ethyl-2-(furan-3-yl)ethanamine?
The InChIKey is VIEOYZQDVGOXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-5-19-17(12-14-10-11-20-13-14)15-6-8-16(9-7-15)18(2,3)4/h10-11,13,15-17,19H,5-9,12H2,1-4H3.
What are the key properties of 1-(4-tert-butylcyclohexyl)-N-ethyl-2-(furan-3-yl)ethanamine?
1-(4-tert-butylcyclohexyl)-N-ethyl-2-(furan-3-yl)ethanamine has a molecular weight of 277.45 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylcyclohexyl)-N-ethyl-2-(furan-3-yl)ethanamine is sourced from PubChem (CID 83175651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).