N-(1,2-dithiophen-2-ylethyl)cyclohexanamine

C16H21NS2 — CID 43756050

IUPACN-(1,2-dithiophen-2-ylethyl)cyclohexanamine
SMILESc1csc(CC(NC2CCCCC2)c2cccs2)c1
InChIInChI=1S/C16H21NS2/c1-2-6-13(7-3-1)17-15(16-9-5-11-19-16)12-14-8-4-10-18-14/h4-5,8-11,13,15,17H,1-3,6-7,12H2
InChIKeyCYLDNGUGEPCOED-UHFFFAOYSA-N
MW291.48 g/mol
LogP5.02
Rot. Bonds5

About N-(1,2-dithiophen-2-ylethyl)cyclohexanamine

N-(1,2-dithiophen-2-ylethyl)cyclohexanamine (PubChem CID 43756050) has the molecular formula C16H21NS2 and a molecular weight of 291.48 g/mol. Its IUPAC name is N-(1,2-dithiophen-2-ylethyl)cyclohexanamine.

Molecular Properties

Compound NameN-(1,2-dithiophen-2-ylethyl)cyclohexanamine
PubChem CID43756050
Molecular FormulaC16H21NS2
Molecular Weight291.48 g/mol
Exact Mass291.11
IUPAC NameN-(1,2-dithiophen-2-ylethyl)cyclohexanamine
SMILESc1csc(CC(NC2CCCCC2)c2cccs2)c1
InChIInChI=1S/C16H21NS2/c1-2-6-13(7-3-1)17-15(16-9-5-11-19-16)12-14-8-4-10-18-14/h4-5,8-11,13,15,17H,1-3,6-7,12H2
InChIKeyCYLDNGUGEPCOED-UHFFFAOYSA-N
XLogP5.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.48
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,2-dithiophen-2-ylethyl)thiolan-3-amine
CID 103930732
N-[(1R)-1-cyclohexylethyl]-1,2-dithiophen-2-ylethanamine
CID 81391508
N-(1-cyclohexylethyl)-1,2-dithiophen-2-ylethanamine
CID 63478173
3-(cyclooctylamino)-3-thiophen-2-ylpropanoic acid
CID 43727644
N-(1,2-dithiophen-2-ylethyl)-2-methoxycyclopentan-1-amine
CID 62087490
N-(1-thiophen-2-ylethyl)cyclohexanamine
CID 25219735
N-(dithiophen-2-ylmethyl)cyclopentanamine
CID 43756506
N-(2-methyl-1-thiophen-2-ylpropyl)cyclooctanamine
CID 43225879
2-(2-bromo-2-cyclohexylethyl)thiophene
CID 63543626
N-(1-thiophen-2-ylpropan-2-yl)cyclopropanamine
CID 82262604
N-(thiophen-2-ylmethyl)cycloheptanamine
CID 4719997
1-cyclopropyl-2-(1,2-dithiophen-2-ylethylamino)ethanol
CID 63294884

Frequently Asked Questions

What is the IUPAC name of N-(1,2-dithiophen-2-ylethyl)cyclohexanamine?
The IUPAC name of N-(1,2-dithiophen-2-ylethyl)cyclohexanamine (CID 43756050) is N-(1,2-dithiophen-2-ylethyl)cyclohexanamine.
What is the SMILES notation for N-(1,2-dithiophen-2-ylethyl)cyclohexanamine?
The canonical SMILES for N-(1,2-dithiophen-2-ylethyl)cyclohexanamine is c1csc(CC(NC2CCCCC2)c2cccs2)c1.
What is the InChIKey of N-(1,2-dithiophen-2-ylethyl)cyclohexanamine?
The InChIKey is CYLDNGUGEPCOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NS2/c1-2-6-13(7-3-1)17-15(16-9-5-11-19-16)12-14-8-4-10-18-14/h4-5,8-11,13,15,17H,1-3,6-7,12H2.
What are the key properties of N-(1,2-dithiophen-2-ylethyl)cyclohexanamine?
N-(1,2-dithiophen-2-ylethyl)cyclohexanamine has a molecular weight of 291.48 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-dithiophen-2-ylethyl)cyclohexanamine is sourced from PubChem (CID 43756050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).