2-(1-adamantyl)-N-methyl-1-(5-methylthiophen-2-yl)ethanamine

C18H27NS — CID 79988409

IUPAC2-(1-adamantyl)-N-methyl-1-(5-methylthiophen-2-yl)ethanamine
SMILESCNC(CC12CC3CC(CC(C3)C1)C2)c1ccc(C)s1
InChIInChI=1S/C18H27NS/c1-12-3-4-17(20-12)16(19-2)11-18-8-13-5-14(9-18)7-15(6-13)10-18/h3-4,13-16,19H,5-11H2,1-2H3
InChIKeyWISLADQUNMFONJ-UHFFFAOYSA-N
MW289.49 g/mol
LogP4.92
Rot. Bonds4

About 2-(1-adamantyl)-N-methyl-1-(5-methylthiophen-2-yl)ethanamine

2-(1-adamantyl)-N-methyl-1-(5-methylthiophen-2-yl)ethanamine (PubChem CID 79988409) has the molecular formula C18H27NS and a molecular weight of 289.49 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-methyl-1-(5-methylthiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(1-adamantyl)-N-methyl-1-(5-methylthiophen-2-yl)ethanamine
PubChem CID79988409
Molecular FormulaC18H27NS
Molecular Weight289.49 g/mol
Exact Mass289.19
IUPAC Name2-(1-adamantyl)-N-methyl-1-(5-methylthiophen-2-yl)ethanamine
SMILESCNC(CC12CC3CC(CC(C3)C1)C2)c1ccc(C)s1
InChIInChI=1S/C18H27NS/c1-12-3-4-17(20-12)16(19-2)11-18-8-13-5-14(9-18)7-15(6-13)10-18/h3-4,13-16,19H,5-11H2,1-2H3
InChIKeyWISLADQUNMFONJ-UHFFFAOYSA-N
XLogP4.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.49
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-adamantyl)-N-methyl-1-(4-methylphenyl)ethanamine
CID 79988415
2-(1-adamantyl)-1-(5-bromo-4-chlorothiophen-2-yl)-N-methylethanamine
CID 80530866
2-(1-adamantyl)-1-(5-chlorothiophen-2-yl)-N-ethylethanamine
CID 79988041
2-(1-adamantyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylethanamine
CID 79988914
N-methyl-1-(5-methylthiophen-2-yl)pentan-1-amine
CID 43480384
1-(2-adamantyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine
CID 81095858
N,3-dimethyl-1-(5-methylthiophen-2-yl)pentan-1-amine
CID 114874222
2-(1-adamantyl)-1-(cyclohepten-1-yl)-N-methylethanamine
CID 79988682
[2-(1-adamantyl)-1-phenylethyl]hydrazine
CID 105283021
N-methyl-3-(4-methylphenyl)-1-(5-methylthiophen-2-yl)propan-1-amine
CID 105161960
4-ethoxy-N-methyl-1-(5-methylthiophen-2-yl)butan-1-amine
CID 105162024
N-methyl-1-(5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207180

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-methyl-1-(5-methylthiophen-2-yl)ethanamine?
The IUPAC name of 2-(1-adamantyl)-N-methyl-1-(5-methylthiophen-2-yl)ethanamine (CID 79988409) is 2-(1-adamantyl)-N-methyl-1-(5-methylthiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(1-adamantyl)-N-methyl-1-(5-methylthiophen-2-yl)ethanamine?
The canonical SMILES for 2-(1-adamantyl)-N-methyl-1-(5-methylthiophen-2-yl)ethanamine is CNC(CC12CC3CC(CC(C3)C1)C2)c1ccc(C)s1.
What is the InChIKey of 2-(1-adamantyl)-N-methyl-1-(5-methylthiophen-2-yl)ethanamine?
The InChIKey is WISLADQUNMFONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NS/c1-12-3-4-17(20-12)16(19-2)11-18-8-13-5-14(9-18)7-15(6-13)10-18/h3-4,13-16,19H,5-11H2,1-2H3.
What are the key properties of 2-(1-adamantyl)-N-methyl-1-(5-methylthiophen-2-yl)ethanamine?
2-(1-adamantyl)-N-methyl-1-(5-methylthiophen-2-yl)ethanamine has a molecular weight of 289.49 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-methyl-1-(5-methylthiophen-2-yl)ethanamine is sourced from PubChem (CID 79988409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).