1-(1-adamantyl)-N-methyl-1-thiophen-2-ylmethanamine

C16H23NS — CID 43483460

IUPAC1-(1-adamantyl)-N-methyl-1-thiophen-2-ylmethanamine
SMILESCNC(c1cccs1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H23NS/c1-17-15(14-3-2-4-18-14)16-8-11-5-12(9-16)7-13(6-11)10-16/h2-4,11-13,15,17H,5-10H2,1H3
InChIKeyQTAISMBNMSZJFD-UHFFFAOYSA-N
MW261.43 g/mol
LogP4.22
Rot. Bonds3

About 1-(1-adamantyl)-N-methyl-1-thiophen-2-ylmethanamine

1-(1-adamantyl)-N-methyl-1-thiophen-2-ylmethanamine (PubChem CID 43483460) has the molecular formula C16H23NS and a molecular weight of 261.43 g/mol. Its IUPAC name is 1-(1-adamantyl)-N-methyl-1-thiophen-2-ylmethanamine.

Molecular Properties

Compound Name1-(1-adamantyl)-N-methyl-1-thiophen-2-ylmethanamine
PubChem CID43483460
Molecular FormulaC16H23NS
Molecular Weight261.43 g/mol
Exact Mass261.16
IUPAC Name1-(1-adamantyl)-N-methyl-1-thiophen-2-ylmethanamine
SMILESCNC(c1cccs1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H23NS/c1-17-15(14-3-2-4-18-14)16-8-11-5-12(9-16)7-13(6-11)10-16/h2-4,11-13,15,17H,5-10H2,1H3
InChIKeyQTAISMBNMSZJFD-UHFFFAOYSA-N
XLogP4.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.43
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(1-adamantyl)-N-methyl-1-thiophen-2-ylmethanamine 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

1-(1-adamantyl)-1-(4,5-dibromothiophen-2-yl)-N-methylmethanamine
CID 80532686
1-(1-methoxycyclobutyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 116714360
(3-methyl-1-adamantyl)-thiophen-2-ylmethanamine
CID 113402734
1-(1-adamantyl)-N-ethyl-2-thiophen-2-ylethanamine
CID 63420269
1-(1-adamantyl)-1-(cyclopenten-1-yl)-N-methylmethanamine
CID 63506303
1-(1-adamantyl)-N-methyl-3-thiophen-2-ylpropan-2-amine
CID 79988196
1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 116768795
(4-fluoro-1-adamantyl)-thiophen-2-ylmethanamine
CID 118205900
N-methyl-1-(5-methyloxolan-3-yl)-1-thiophen-2-ylmethanamine
CID 114825004
N-methyl-1-(1-morpholin-4-ylcyclopentyl)-1-thiophen-2-ylmethanamine
CID 79066848
[1-adamantyl(phenyl)methyl]hydrazine
CID 105214386
1-(1-adamantyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
CID 62796571

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-N-methyl-1-thiophen-2-ylmethanamine?
The IUPAC name of 1-(1-adamantyl)-N-methyl-1-thiophen-2-ylmethanamine (CID 43483460) is 1-(1-adamantyl)-N-methyl-1-thiophen-2-ylmethanamine.
What is the SMILES notation for 1-(1-adamantyl)-N-methyl-1-thiophen-2-ylmethanamine?
The canonical SMILES for 1-(1-adamantyl)-N-methyl-1-thiophen-2-ylmethanamine is CNC(c1cccs1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-N-methyl-1-thiophen-2-ylmethanamine?
The InChIKey is QTAISMBNMSZJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NS/c1-17-15(14-3-2-4-18-14)16-8-11-5-12(9-16)7-13(6-11)10-16/h2-4,11-13,15,17H,5-10H2,1H3.
What are the key properties of 1-(1-adamantyl)-N-methyl-1-thiophen-2-ylmethanamine?
1-(1-adamantyl)-N-methyl-1-thiophen-2-ylmethanamine has a molecular weight of 261.43 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-N-methyl-1-thiophen-2-ylmethanamine is sourced from PubChem (CID 43483460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).