1-(1-adamantyl)-N-(2-thiophen-3-ylethyl)ethanamine

C18H27NS — CID 63454785

IUPAC1-(1-adamantyl)-N-(2-thiophen-3-ylethyl)ethanamine
SMILESCC(NCCc1ccsc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H27NS/c1-13(19-4-2-14-3-5-20-12-14)18-9-15-6-16(10-18)8-17(7-15)11-18/h3,5,12-13,15-17,19H,2,4,6-11H2,1H3
InChIKeyKOXSGEVSNZWMKP-UHFFFAOYSA-N
MW289.49 g/mol
LogP4.49
Rot. Bonds5

About 1-(1-adamantyl)-N-(2-thiophen-3-ylethyl)ethanamine

1-(1-adamantyl)-N-(2-thiophen-3-ylethyl)ethanamine (PubChem CID 63454785) has the molecular formula C18H27NS and a molecular weight of 289.49 g/mol. Its IUPAC name is 1-(1-adamantyl)-N-(2-thiophen-3-ylethyl)ethanamine.

Molecular Properties

Compound Name1-(1-adamantyl)-N-(2-thiophen-3-ylethyl)ethanamine
PubChem CID63454785
Molecular FormulaC18H27NS
Molecular Weight289.49 g/mol
Exact Mass289.19
IUPAC Name1-(1-adamantyl)-N-(2-thiophen-3-ylethyl)ethanamine
SMILESCC(NCCc1ccsc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H27NS/c1-13(19-4-2-14-3-5-20-12-14)18-9-15-6-16(10-18)8-17(7-15)11-18/h3,5,12-13,15-17,19H,2,4,6-11H2,1H3
InChIKeyKOXSGEVSNZWMKP-UHFFFAOYSA-N
XLogP4.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.49
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-thiophen-3-ylethylamino)butanenitrile
CID 61474150
(2S)-3-methyl-2-(2-thiophen-3-ylethylamino)butan-1-ol
CID 79249026
4-[1-(2-thiophen-3-ylethylamino)ethyl]phenol
CID 54953254
1-chloro-4-methyl-N-(2-thiophen-3-ylethyl)pentan-3-amine
CID 106353903
N-[1-adamantyl(thiophen-3-yl)methyl]ethanamine
CID 65104862
(1R)-1-(2-methylphenyl)-N-(2-thiophen-3-ylethyl)ethanamine
CID 81375407
N-benzhydryl-2-thiophen-3-ylethanamine
CID 61474886
N-(2-thiophen-3-ylethyl)hex-5-en-2-amine
CID 104581649
1-(5-methylfuran-2-yl)-N-(2-thiophen-3-ylethyl)ethanamine
CID 61474918
4-[3-(2-thiophen-3-ylethylamino)butyl]phenol
CID 61475292
[(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 3-thiophen-3-ylpropanoate
CID 8654611
2-methyl-N-(2-thiophen-3-ylethyl)butan-1-amine
CID 61474890

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-N-(2-thiophen-3-ylethyl)ethanamine?
The IUPAC name of 1-(1-adamantyl)-N-(2-thiophen-3-ylethyl)ethanamine (CID 63454785) is 1-(1-adamantyl)-N-(2-thiophen-3-ylethyl)ethanamine.
What is the SMILES notation for 1-(1-adamantyl)-N-(2-thiophen-3-ylethyl)ethanamine?
The canonical SMILES for 1-(1-adamantyl)-N-(2-thiophen-3-ylethyl)ethanamine is CC(NCCc1ccsc1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-N-(2-thiophen-3-ylethyl)ethanamine?
The InChIKey is KOXSGEVSNZWMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NS/c1-13(19-4-2-14-3-5-20-12-14)18-9-15-6-16(10-18)8-17(7-15)11-18/h3,5,12-13,15-17,19H,2,4,6-11H2,1H3.
What are the key properties of 1-(1-adamantyl)-N-(2-thiophen-3-ylethyl)ethanamine?
1-(1-adamantyl)-N-(2-thiophen-3-ylethyl)ethanamine has a molecular weight of 289.49 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-N-(2-thiophen-3-ylethyl)ethanamine is sourced from PubChem (CID 63454785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).