1-cyclohexyl-4-thiophen-2-ylbutan-2-amine

C14H23NS — CID 115860772

IUPAC1-cyclohexyl-4-thiophen-2-ylbutan-2-amine
SMILESNC(CCc1cccs1)CC1CCCCC1
InChIInChI=1S/C14H23NS/c15-13(8-9-14-7-4-10-16-14)11-12-5-2-1-3-6-12/h4,7,10,12-13H,1-3,5-6,8-9,11,15H2
InChIKeyJNXWHVXVBAFKPT-UHFFFAOYSA-N
MW237.41 g/mol
LogP3.98
Rot. Bonds5

About 1-cyclohexyl-4-thiophen-2-ylbutan-2-amine

1-cyclohexyl-4-thiophen-2-ylbutan-2-amine (PubChem CID 115860772) has the molecular formula C14H23NS and a molecular weight of 237.41 g/mol. Its IUPAC name is 1-cyclohexyl-4-thiophen-2-ylbutan-2-amine.

Molecular Properties

Compound Name1-cyclohexyl-4-thiophen-2-ylbutan-2-amine
PubChem CID115860772
Molecular FormulaC14H23NS
Molecular Weight237.41 g/mol
Exact Mass237.16
IUPAC Name1-cyclohexyl-4-thiophen-2-ylbutan-2-amine
SMILESNC(CCc1cccs1)CC1CCCCC1
InChIInChI=1S/C14H23NS/c15-13(8-9-14-7-4-10-16-14)11-12-5-2-1-3-6-12/h4,7,10,12-13H,1-3,5-6,8-9,11,15H2
InChIKeyJNXWHVXVBAFKPT-UHFFFAOYSA-N
XLogP3.98
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.41
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cycloheptyl-3-thiophen-2-ylpropan-2-amine
CID 114458094
1-(oxolan-2-yl)-4-thiophen-2-ylbutan-2-amine
CID 63774614
(1-cyclohexyl-3-thiophen-2-ylpropyl)hydrazine
CID 105201759
1-cyclobutyl-N-methyl-4-thiophen-2-ylbutan-2-amine
CID 103168696
1-(3-ethylcyclohexyl)-3-thiophen-2-ylpropan-1-amine
CID 65414532
1-cyclobutyl-N-ethyl-4-thiophen-2-ylbutan-2-amine
CID 103168700
2-(4-cyclohexylbutyl)thiophene
CID 142713613
1-(thian-4-yl)-3-thiophen-2-ylpropan-2-amine
CID 105134176
2-cyclopentyl-1-thiophen-2-ylethanamine
CID 43823389
(1-cyclohexylsulfanyl-4-thiophen-2-ylbutan-2-yl)hydrazine
CID 105227750
1-cyclopentyl-N-ethyl-5-thiophen-2-ylpentan-2-amine
CID 105139096
N-(2-cyclopentyl-4-thiophen-2-ylbutyl)cyclopropanamine
CID 112570087

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-thiophen-2-ylbutan-2-amine?
The IUPAC name of 1-cyclohexyl-4-thiophen-2-ylbutan-2-amine (CID 115860772) is 1-cyclohexyl-4-thiophen-2-ylbutan-2-amine.
What is the SMILES notation for 1-cyclohexyl-4-thiophen-2-ylbutan-2-amine?
The canonical SMILES for 1-cyclohexyl-4-thiophen-2-ylbutan-2-amine is NC(CCc1cccs1)CC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-4-thiophen-2-ylbutan-2-amine?
The InChIKey is JNXWHVXVBAFKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS/c15-13(8-9-14-7-4-10-16-14)11-12-5-2-1-3-6-12/h4,7,10,12-13H,1-3,5-6,8-9,11,15H2.
What are the key properties of 1-cyclohexyl-4-thiophen-2-ylbutan-2-amine?
1-cyclohexyl-4-thiophen-2-ylbutan-2-amine has a molecular weight of 237.41 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-thiophen-2-ylbutan-2-amine is sourced from PubChem (CID 115860772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).