N-[(1R)-1-cyclohexylethyl]-1,2-dithiophen-2-ylethanamine

C18H25NS2 — CID 81391508

IUPACN-[(1R)-1-cyclohexylethyl]-1,2-dithiophen-2-ylethanamine
SMILESC[C@@H](NC(Cc1cccs1)c1cccs1)C1CCCCC1
InChIInChI=1S/C18H25NS2/c1-14(15-7-3-2-4-8-15)19-17(18-10-6-12-21-18)13-16-9-5-11-20-16/h5-6,9-12,14-15,17,19H,2-4,7-8,13H2,1H3/t14-,17?/m1/s1
InChIKeyGMALOTOBULHOAR-XPCCGILXSA-N
MW319.54 g/mol
LogP5.65
Rot. Bonds6

About N-[(1R)-1-cyclohexylethyl]-1,2-dithiophen-2-ylethanamine

N-[(1R)-1-cyclohexylethyl]-1,2-dithiophen-2-ylethanamine (PubChem CID 81391508) has the molecular formula C18H25NS2 and a molecular weight of 319.54 g/mol. Its IUPAC name is N-[(1R)-1-cyclohexylethyl]-1,2-dithiophen-2-ylethanamine.

Molecular Properties

Compound NameN-[(1R)-1-cyclohexylethyl]-1,2-dithiophen-2-ylethanamine
PubChem CID81391508
Molecular FormulaC18H25NS2
Molecular Weight319.54 g/mol
Exact Mass319.14
IUPAC NameN-[(1R)-1-cyclohexylethyl]-1,2-dithiophen-2-ylethanamine
SMILESC[C@@H](NC(Cc1cccs1)c1cccs1)C1CCCCC1
InChIInChI=1S/C18H25NS2/c1-14(15-7-3-2-4-8-15)19-17(18-10-6-12-21-18)13-16-9-5-11-20-16/h5-6,9-12,14-15,17,19H,2-4,7-8,13H2,1H3/t14-,17?/m1/s1
InChIKeyGMALOTOBULHOAR-XPCCGILXSA-N
XLogP5.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.54
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1R)-1-cyclohexylethyl]-1,2-dithiophen-2-ylethanamine with MolForge

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Launch Full Analysis

Related Compounds

N-(1-cyclohexylethyl)-1,2-dithiophen-2-ylethanamine
CID 63478173
N-(1,2-dithiophen-2-ylethyl)cyclohexanamine
CID 43756050
1-cyclopropyl-N-(1,2-dithiophen-2-ylethyl)propan-2-amine
CID 63989311
1-cyclohexyl-N-(thiophen-2-ylmethyl)ethanamine
CID 43769306
N-(1,2-dithiophen-2-ylethyl)-1-thiophen-2-ylpropan-2-amine
CID 43783115
1-cyclohexyl-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride
CID 69253507
(1R)-1-cyclopentyl-N-(2-thiophen-2-ylethyl)ethanamine
CID 81395803
(2R)-2-(1,2-dithiophen-2-ylethylamino)propan-1-ol
CID 114986973
N-(1-cyclohexyl-2-thiophen-2-ylethyl)propan-1-amine
CID 61066233
(2S)-2-(1,2-dithiophen-2-ylethylamino)-3-methylbutan-1-ol
CID 79254175
2-(2-bromo-2-cyclohexylethyl)thiophene
CID 63543626
1-cyclobutyl-N-(2-thiophen-2-ylethyl)ethanamine
CID 115706476

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyclohexylethyl]-1,2-dithiophen-2-ylethanamine?
The IUPAC name of N-[(1R)-1-cyclohexylethyl]-1,2-dithiophen-2-ylethanamine (CID 81391508) is N-[(1R)-1-cyclohexylethyl]-1,2-dithiophen-2-ylethanamine.
What is the SMILES notation for N-[(1R)-1-cyclohexylethyl]-1,2-dithiophen-2-ylethanamine?
The canonical SMILES for N-[(1R)-1-cyclohexylethyl]-1,2-dithiophen-2-ylethanamine is C[C@@H](NC(Cc1cccs1)c1cccs1)C1CCCCC1.
What is the InChIKey of N-[(1R)-1-cyclohexylethyl]-1,2-dithiophen-2-ylethanamine?
The InChIKey is GMALOTOBULHOAR-XPCCGILXSA-N. The full InChI is InChI=1S/C18H25NS2/c1-14(15-7-3-2-4-8-15)19-17(18-10-6-12-21-18)13-16-9-5-11-20-16/h5-6,9-12,14-15,17,19H,2-4,7-8,13H2,1H3/t14-,17?/m1/s1.
What are the key properties of N-[(1R)-1-cyclohexylethyl]-1,2-dithiophen-2-ylethanamine?
N-[(1R)-1-cyclohexylethyl]-1,2-dithiophen-2-ylethanamine has a molecular weight of 319.54 g/mol, XLogP of 5.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyclohexylethyl]-1,2-dithiophen-2-ylethanamine is sourced from PubChem (CID 81391508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).