1-adamantyl-(5-bromothiophen-2-yl)methanamine

C15H20BrNS — CID 63502392

IUPAC1-adamantyl-(5-bromothiophen-2-yl)methanamine
SMILESNC(c1ccc(Br)s1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H20BrNS/c16-13-2-1-12(18-13)14(17)15-6-9-3-10(7-15)5-11(4-9)8-15/h1-2,9-11,14H,3-8,17H2
InChIKeyVUIMFDPGZKMSPN-UHFFFAOYSA-N
MW326.30 g/mol
LogP4.73
Rot. Bonds2

About 1-adamantyl-(5-bromothiophen-2-yl)methanamine

1-adamantyl-(5-bromothiophen-2-yl)methanamine (PubChem CID 63502392) has the molecular formula C15H20BrNS and a molecular weight of 326.30 g/mol. Its IUPAC name is 1-adamantyl-(5-bromothiophen-2-yl)methanamine.

Molecular Properties

Compound Name1-adamantyl-(5-bromothiophen-2-yl)methanamine
PubChem CID63502392
Molecular FormulaC15H20BrNS
Molecular Weight326.30 g/mol
Exact Mass325.05
IUPAC Name1-adamantyl-(5-bromothiophen-2-yl)methanamine
SMILESNC(c1ccc(Br)s1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H20BrNS/c16-13-2-1-12(18-13)14(17)15-6-9-3-10(7-15)5-11(4-9)8-15/h1-2,9-11,14H,3-8,17H2
InChIKeyVUIMFDPGZKMSPN-UHFFFAOYSA-N
XLogP4.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.30
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-adamantyl-(5-bromothiophen-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

Frequently Asked Questions

What is the IUPAC name of 1-adamantyl-(5-bromothiophen-2-yl)methanamine?
The IUPAC name of 1-adamantyl-(5-bromothiophen-2-yl)methanamine (CID 63502392) is 1-adamantyl-(5-bromothiophen-2-yl)methanamine.
What is the SMILES notation for 1-adamantyl-(5-bromothiophen-2-yl)methanamine?
The canonical SMILES for 1-adamantyl-(5-bromothiophen-2-yl)methanamine is NC(c1ccc(Br)s1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-adamantyl-(5-bromothiophen-2-yl)methanamine?
The InChIKey is VUIMFDPGZKMSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNS/c16-13-2-1-12(18-13)14(17)15-6-9-3-10(7-15)5-11(4-9)8-15/h1-2,9-11,14H,3-8,17H2.
What are the key properties of 1-adamantyl-(5-bromothiophen-2-yl)methanamine?
1-adamantyl-(5-bromothiophen-2-yl)methanamine has a molecular weight of 326.30 g/mol, XLogP of 4.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl-(5-bromothiophen-2-yl)methanamine is sourced from PubChem (CID 63502392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).