N-(1-adamantylmethyl)-1-thiophen-2-ylmethanamine

C16H23NS — CID 55027346

IUPACN-(1-adamantylmethyl)-1-thiophen-2-ylmethanamine
SMILESc1csc(CNCC23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C16H23NS/c1-2-15(18-3-1)10-17-11-16-7-12-4-13(8-16)6-14(5-12)9-16/h1-3,12-14,17H,4-11H2
InChIKeyISBDCZLCCFBZDP-UHFFFAOYSA-N
MW261.43 g/mol
LogP4.05
Rot. Bonds4

About N-(1-adamantylmethyl)-1-thiophen-2-ylmethanamine

N-(1-adamantylmethyl)-1-thiophen-2-ylmethanamine (PubChem CID 55027346) has the molecular formula C16H23NS and a molecular weight of 261.43 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-1-thiophen-2-ylmethanamine.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-1-thiophen-2-ylmethanamine
PubChem CID55027346
Molecular FormulaC16H23NS
Molecular Weight261.43 g/mol
Exact Mass261.16
IUPAC NameN-(1-adamantylmethyl)-1-thiophen-2-ylmethanamine
SMILESc1csc(CNCC23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C16H23NS/c1-2-15(18-3-1)10-17-11-16-7-12-4-13(8-16)6-14(5-12)9-16/h1-3,12-14,17H,4-11H2
InChIKeyISBDCZLCCFBZDP-UHFFFAOYSA-N
XLogP4.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.43
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(thiophen-2-ylmethyl)adamantane-1-carboxamide
CID 2805256
1-[(thiophen-2-ylmethylamino)methyl]cyclobutan-1-ol
CID 115621566
N-(1-adamantyl)-2-(thiophen-2-ylmethylamino)acetamide chloride
CID 53350955
[2-(1-adamantylmethylamino)-2-oxoethyl]-ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]azanium
CID 8905656
1-[(thiophen-2-ylmethylamino)methyl]cyclopentan-1-ol
CID 63934542
N-[(1-phenylcyclopropyl)methyl]-1-thiophen-2-ylmethanamine
CID 60760072
N-[(1-methylcyclohexyl)methyl]-1-thiophen-2-ylmethanamine
CID 103753045
1-(1-adamantyl)-N-methyl-3-thiophen-2-ylpropan-2-amine
CID 79988196
N-[(1-propylcyclobutyl)methyl]-1-thiophen-2-ylmethanamine
CID 115694272
4-[(thiophen-2-ylmethylamino)methyl]oxan-4-ol
CID 78928808
2-(3-bromo-1-adamantyl)-N-(thiophen-2-ylmethyl)acetamide
CID 4814345
4-[1-[(thiophen-2-ylmethylamino)methyl]cyclopropyl]aniline
CID 112558033

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-1-thiophen-2-ylmethanamine?
The IUPAC name of N-(1-adamantylmethyl)-1-thiophen-2-ylmethanamine (CID 55027346) is N-(1-adamantylmethyl)-1-thiophen-2-ylmethanamine.
What is the SMILES notation for N-(1-adamantylmethyl)-1-thiophen-2-ylmethanamine?
The canonical SMILES for N-(1-adamantylmethyl)-1-thiophen-2-ylmethanamine is c1csc(CNCC23CC4CC(CC(C4)C2)C3)c1.
What is the InChIKey of N-(1-adamantylmethyl)-1-thiophen-2-ylmethanamine?
The InChIKey is ISBDCZLCCFBZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NS/c1-2-15(18-3-1)10-17-11-16-7-12-4-13(8-16)6-14(5-12)9-16/h1-3,12-14,17H,4-11H2.
What are the key properties of N-(1-adamantylmethyl)-1-thiophen-2-ylmethanamine?
N-(1-adamantylmethyl)-1-thiophen-2-ylmethanamine has a molecular weight of 261.43 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-1-thiophen-2-ylmethanamine is sourced from PubChem (CID 55027346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).