1-(1-adamantyl)-N-methyl-3-thiophen-2-ylpropan-2-amine

C18H27NS — CID 79988196

IUPAC1-(1-adamantyl)-N-methyl-3-thiophen-2-ylpropan-2-amine
SMILESCNC(Cc1cccs1)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H27NS/c1-19-16(8-17-3-2-4-20-17)12-18-9-13-5-14(10-18)7-15(6-13)11-18/h2-4,13-16,19H,5-12H2,1H3
InChIKeyZYESIUFAFAJGQV-UHFFFAOYSA-N
MW289.49 g/mol
LogP4.49
Rot. Bonds5

About 1-(1-adamantyl)-N-methyl-3-thiophen-2-ylpropan-2-amine

1-(1-adamantyl)-N-methyl-3-thiophen-2-ylpropan-2-amine (PubChem CID 79988196) has the molecular formula C18H27NS and a molecular weight of 289.49 g/mol. Its IUPAC name is 1-(1-adamantyl)-N-methyl-3-thiophen-2-ylpropan-2-amine.

Molecular Properties

Compound Name1-(1-adamantyl)-N-methyl-3-thiophen-2-ylpropan-2-amine
PubChem CID79988196
Molecular FormulaC18H27NS
Molecular Weight289.49 g/mol
Exact Mass289.19
IUPAC Name1-(1-adamantyl)-N-methyl-3-thiophen-2-ylpropan-2-amine
SMILESCNC(Cc1cccs1)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H27NS/c1-19-16(8-17-3-2-4-20-17)12-18-9-13-5-14(10-18)7-15(6-13)11-18/h2-4,13-16,19H,5-12H2,1H3
InChIKeyZYESIUFAFAJGQV-UHFFFAOYSA-N
XLogP4.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.49
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-adamantyl)-N-methyl-3-(1,3-thiazol-5-yl)propan-2-amine
CID 105030493
1-(1-adamantyl)-N-ethyl-2-thiophen-2-ylethanamine
CID 63420269
N-(1-adamantylmethyl)-1-thiophen-2-ylmethanamine
CID 55027346
2-(1-adamantyl)-N-[(2R)-2-(hydroxymethyl)-3-thiophen-2-ylpropyl]acetamide
CID 97139042
N-methyl-1-thiophen-2-yltetradecan-2-amine
CID 63416157
1-(1-adamantyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 43483460
N-methyl-1-(2-methylphenyl)sulfanyl-3-thiophen-2-ylpropan-2-amine
CID 66097582
N-methyl-1-(thiolan-2-yl)-2-thiophen-2-ylethanamine
CID 80621899
1-(3,4-dimethoxyphenyl)-N-methyl-3-thiophen-2-ylpropan-2-amine
CID 62600246
2-[2-chloro-2-(3,5-dimethyl-1-adamantyl)ethyl]thiophene
CID 79999327
1-(2,2-dimethylcyclopentyl)-N-methyl-2-thiophen-2-ylethanamine
CID 107179492
2-[2-bromo-3-(1-methoxycyclobutyl)propyl]thiophene
CID 103558133

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-N-methyl-3-thiophen-2-ylpropan-2-amine?
The IUPAC name of 1-(1-adamantyl)-N-methyl-3-thiophen-2-ylpropan-2-amine (CID 79988196) is 1-(1-adamantyl)-N-methyl-3-thiophen-2-ylpropan-2-amine.
What is the SMILES notation for 1-(1-adamantyl)-N-methyl-3-thiophen-2-ylpropan-2-amine?
The canonical SMILES for 1-(1-adamantyl)-N-methyl-3-thiophen-2-ylpropan-2-amine is CNC(Cc1cccs1)CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-N-methyl-3-thiophen-2-ylpropan-2-amine?
The InChIKey is ZYESIUFAFAJGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NS/c1-19-16(8-17-3-2-4-20-17)12-18-9-13-5-14(10-18)7-15(6-13)11-18/h2-4,13-16,19H,5-12H2,1H3.
What are the key properties of 1-(1-adamantyl)-N-methyl-3-thiophen-2-ylpropan-2-amine?
1-(1-adamantyl)-N-methyl-3-thiophen-2-ylpropan-2-amine has a molecular weight of 289.49 g/mol, XLogP of 4.49, 5 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-3-thiophen-2-ylpropan-2-amine is sourced from PubChem (CID 79988196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).