2-adamantyl-(5-methylthiophen-3-yl)methanamine

C16H23NS — CID 104991334

IUPAC2-adamantyl-(5-methylthiophen-3-yl)methanamine
SMILESCc1cc(C(N)C2C3CC4CC(C3)CC2C4)cs1
InChIInChI=1S/C16H23NS/c1-9-2-14(8-18-9)16(17)15-12-4-10-3-11(6-12)7-13(15)5-10/h2,8,10-13,15-16H,3-7,17H2,1H3
InChIKeyFRWSWRPIHVJUGM-UHFFFAOYSA-N
MW261.43 g/mol
LogP4.13
Rot. Bonds2

About 2-adamantyl-(5-methylthiophen-3-yl)methanamine

2-adamantyl-(5-methylthiophen-3-yl)methanamine (PubChem CID 104991334) has the molecular formula C16H23NS and a molecular weight of 261.43 g/mol. Its IUPAC name is 2-adamantyl-(5-methylthiophen-3-yl)methanamine.

Molecular Properties

Compound Name2-adamantyl-(5-methylthiophen-3-yl)methanamine
PubChem CID104991334
Molecular FormulaC16H23NS
Molecular Weight261.43 g/mol
Exact Mass261.16
IUPAC Name2-adamantyl-(5-methylthiophen-3-yl)methanamine
SMILESCc1cc(C(N)C2C3CC4CC(C3)CC2C4)cs1
InChIInChI=1S/C16H23NS/c1-9-2-14(8-18-9)16(17)15-12-4-10-3-11(6-12)7-13(15)5-10/h2,8,10-13,15-16H,3-7,17H2,1H3
InChIKeyFRWSWRPIHVJUGM-UHFFFAOYSA-N
XLogP4.13
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.43
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-adamantyl-(5-methylthiophen-3-yl)methanamine?
The IUPAC name of 2-adamantyl-(5-methylthiophen-3-yl)methanamine (CID 104991334) is 2-adamantyl-(5-methylthiophen-3-yl)methanamine.
What is the SMILES notation for 2-adamantyl-(5-methylthiophen-3-yl)methanamine?
The canonical SMILES for 2-adamantyl-(5-methylthiophen-3-yl)methanamine is Cc1cc(C(N)C2C3CC4CC(C3)CC2C4)cs1.
What is the InChIKey of 2-adamantyl-(5-methylthiophen-3-yl)methanamine?
The InChIKey is FRWSWRPIHVJUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NS/c1-9-2-14(8-18-9)16(17)15-12-4-10-3-11(6-12)7-13(15)5-10/h2,8,10-13,15-16H,3-7,17H2,1H3.
What are the key properties of 2-adamantyl-(5-methylthiophen-3-yl)methanamine?
2-adamantyl-(5-methylthiophen-3-yl)methanamine has a molecular weight of 261.43 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-adamantyl-(5-methylthiophen-3-yl)methanamine is sourced from PubChem (CID 104991334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).