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

C17H25NS — CID 81095858

IUPAC1-(2-adamantyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine
SMILESCNC(c1ccc(C)s1)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H25NS/c1-10-3-4-15(19-10)17(18-2)16-13-6-11-5-12(8-13)9-14(16)7-11/h3-4,11-14,16-18H,5-9H2,1-2H3
InChIKeyDTESRJCDEKUSKP-UHFFFAOYSA-N
MW275.46 g/mol
LogP4.39
Rot. Bonds3

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

1-(2-adamantyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine (PubChem CID 81095858) has the molecular formula C17H25NS and a molecular weight of 275.46 g/mol. Its IUPAC name is 1-(2-adamantyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine.

Molecular Properties

Compound Name1-(2-adamantyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine
PubChem CID81095858
Molecular FormulaC17H25NS
Molecular Weight275.46 g/mol
Exact Mass275.17
IUPAC Name1-(2-adamantyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine
SMILESCNC(c1ccc(C)s1)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H25NS/c1-10-3-4-15(19-10)17(18-2)16-13-6-11-5-12(8-13)9-14(16)7-11/h3-4,11-14,16-18H,5-9H2,1-2H3
InChIKeyDTESRJCDEKUSKP-UHFFFAOYSA-N
XLogP4.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.46
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-adamantyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-1-(2-methylcyclopentyl)-1-(5-methylthiophen-2-yl)methanamine
CID 107177150
[2-bicyclo[2.2.1]heptanyl-(5-methylthiophen-2-yl)methyl]hydrazine
CID 105266667
2-(1-adamantyl)-N-methyl-1-(5-methylthiophen-2-yl)ethanamine
CID 79988409
N-[2-bicyclo[2.2.1]heptanyl-(5-methylthiophen-2-yl)methyl]ethanamine
CID 61364743
N-methyl-1-(5-methylthiophen-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105162186
1-(2,2-dimethylcyclohexyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine
CID 107177149
1-(2-adamantyl)-N-methylethanamine
CID 10058442
[(3,5-dimethylcyclohexyl)-(5-methylthiophen-2-yl)methyl]hydrazine
CID 105312147
1-(2-bicyclo[2.2.1]heptanyl)-1-(5-bromothiophen-2-yl)-N-methylmethanamine
CID 61363969
1-(2-adamantyl)-1-(3-bromo-2-fluorophenyl)-N-methylmethanamine
CID 106648142
1-(2-adamantyl)-1-(cyclohepten-1-yl)-N-methylmethanamine
CID 81099133
N,2-dimethyl-1-(5-methylthiophen-2-yl)propan-1-amine
CID 43480389

Frequently Asked Questions

What is the IUPAC name of 1-(2-adamantyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine?
The IUPAC name of 1-(2-adamantyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine (CID 81095858) is 1-(2-adamantyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine.
What is the SMILES notation for 1-(2-adamantyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine?
The canonical SMILES for 1-(2-adamantyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine is CNC(c1ccc(C)s1)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of 1-(2-adamantyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine?
The InChIKey is DTESRJCDEKUSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NS/c1-10-3-4-15(19-10)17(18-2)16-13-6-11-5-12(8-13)9-14(16)7-11/h3-4,11-14,16-18H,5-9H2,1-2H3.
What are the key properties of 1-(2-adamantyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine?
1-(2-adamantyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine has a molecular weight of 275.46 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-adamantyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine is sourced from PubChem (CID 81095858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).