1-(2-adamantyl)-N-ethyl-2-(furan-2-yl)ethanamine

C18H27NO — CID 105029389

IUPAC1-(2-adamantyl)-N-ethyl-2-(furan-2-yl)ethanamine
SMILESCCNC(Cc1ccco1)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H27NO/c1-2-19-17(11-16-4-3-5-20-16)18-14-7-12-6-13(9-14)10-15(18)8-12/h3-5,12-15,17-19H,2,6-11H2,1H3
InChIKeyDMJRISUAANDCOQ-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.87
Rot. Bonds5

About 1-(2-adamantyl)-N-ethyl-2-(furan-2-yl)ethanamine

1-(2-adamantyl)-N-ethyl-2-(furan-2-yl)ethanamine (PubChem CID 105029389) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 1-(2-adamantyl)-N-ethyl-2-(furan-2-yl)ethanamine.

Molecular Properties

Compound Name1-(2-adamantyl)-N-ethyl-2-(furan-2-yl)ethanamine
PubChem CID105029389
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name1-(2-adamantyl)-N-ethyl-2-(furan-2-yl)ethanamine
SMILESCCNC(Cc1ccco1)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H27NO/c1-2-19-17(11-16-4-3-5-20-16)18-14-7-12-6-13(9-14)10-15(18)8-12/h3-5,12-15,17-19H,2,6-11H2,1H3
InChIKeyDMJRISUAANDCOQ-UHFFFAOYSA-N
XLogP3.87
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-(furan-2-yl)-1-(5-methyloxolan-3-yl)ethanamine
CID 105029658
N-ethyl-2-(furan-2-yl)-1-(2-methylcyclopentyl)ethanamine
CID 107190614
N-ethyl-1-(3-ethylcyclohexyl)-2-(furan-2-yl)ethanamine
CID 83176158
N-ethyl-2-(furan-2-yl)-1-(3-methyl-1,4-dithian-2-yl)ethanamine
CID 83183374
1-(2-adamantyl)-N-ethyl-2-thiophen-3-ylethanamine
CID 81098396
1-(2-adamantyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 105025491
N-ethyl-1-(furan-2-yl)-2-methylpentan-3-amine
CID 63561552
N-ethyl-4-(furan-2-yl)-3-methylbutan-2-amine
CID 62999037
1-(2-adamantyl)-N-ethyl-3-methylbutan-1-amine
CID 115782496
1-(2-adamantyl)-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 104997094
N-ethyl-1-(furan-2-yl)-3-(oxolan-3-yl)propan-2-amine
CID 103987352
1-cycloheptyl-2-(furan-2-yl)-N-methylethanamine
CID 83175244

Frequently Asked Questions

What is the IUPAC name of 1-(2-adamantyl)-N-ethyl-2-(furan-2-yl)ethanamine?
The IUPAC name of 1-(2-adamantyl)-N-ethyl-2-(furan-2-yl)ethanamine (CID 105029389) is 1-(2-adamantyl)-N-ethyl-2-(furan-2-yl)ethanamine.
What is the SMILES notation for 1-(2-adamantyl)-N-ethyl-2-(furan-2-yl)ethanamine?
The canonical SMILES for 1-(2-adamantyl)-N-ethyl-2-(furan-2-yl)ethanamine is CCNC(Cc1ccco1)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of 1-(2-adamantyl)-N-ethyl-2-(furan-2-yl)ethanamine?
The InChIKey is DMJRISUAANDCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-2-19-17(11-16-4-3-5-20-16)18-14-7-12-6-13(9-14)10-15(18)8-12/h3-5,12-15,17-19H,2,6-11H2,1H3.
What are the key properties of 1-(2-adamantyl)-N-ethyl-2-(furan-2-yl)ethanamine?
1-(2-adamantyl)-N-ethyl-2-(furan-2-yl)ethanamine has a molecular weight of 273.42 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-adamantyl)-N-ethyl-2-(furan-2-yl)ethanamine is sourced from PubChem (CID 105029389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).