N-[1-(7-bicyclo[4.1.0]heptanyl)-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine

C18H29NS — CID 115842387

IUPACN-[1-(7-bicyclo[4.1.0]heptanyl)-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(CC)s1)C1C2CCCCC21
InChIInChI=1S/C18H29NS/c1-3-11-19-17(12-14-10-9-13(4-2)20-14)18-15-7-5-6-8-16(15)18/h9-10,15-19H,3-8,11-12H2,1-2H3
InChIKeyXPOQJEUVFXVSNR-UHFFFAOYSA-N
MW291.50 g/mol
LogP4.66
Rot. Bonds7

About N-[1-(7-bicyclo[4.1.0]heptanyl)-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine

N-[1-(7-bicyclo[4.1.0]heptanyl)-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine (PubChem CID 115842387) has the molecular formula C18H29NS and a molecular weight of 291.50 g/mol. Its IUPAC name is N-[1-(7-bicyclo[4.1.0]heptanyl)-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(7-bicyclo[4.1.0]heptanyl)-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine
PubChem CID115842387
Molecular FormulaC18H29NS
Molecular Weight291.50 g/mol
Exact Mass291.20
IUPAC NameN-[1-(7-bicyclo[4.1.0]heptanyl)-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(CC)s1)C1C2CCCCC21
InChIInChI=1S/C18H29NS/c1-3-11-19-17(12-14-10-9-13(4-2)20-14)18-15-7-5-6-8-16(15)18/h9-10,15-19H,3-8,11-12H2,1-2H3
InChIKeyXPOQJEUVFXVSNR-UHFFFAOYSA-N
XLogP4.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.50
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(7-bicyclo[4.1.0]heptanyl)-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(7-bicyclo[4.1.0]heptanyl)-2-(5-bromothiophen-2-yl)ethyl]propan-1-amine
CID 115840919
N-[1-cyclohexyl-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine
CID 63413397
N-[1-cyclopropyl-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine
CID 62600030
N-[1-(2,2-dimethylcyclohexyl)-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine
CID 107188294
N-[1-(4-ethylcyclohexyl)-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine
CID 65392917
N-[1-(7-bicyclo[4.1.0]heptanyl)-2-(4-bromothiophen-2-yl)ethyl]propan-1-amine
CID 115847651
1-cyclohexyl-3-(5-ethylthiophen-2-yl)-N-propylpropan-2-amine
CID 115842424
N-[1-(7-bicyclo[4.1.0]heptanyl)-2-(2-chloro-4-fluorophenyl)ethyl]propan-1-amine
CID 115840407
2-cyclopentyl-3-(5-ethylthiophen-2-yl)-N-propylpropan-1-amine
CID 112569956
N-[1-(6-bicyclo[3.1.0]hexanyl)-2-(5-fluoro-2-methylphenyl)ethyl]propan-1-amine
CID 105377335
1-(7-bicyclo[4.1.0]heptanyl)-3-phenyl-N-propylpropan-1-amine
CID 115793737
N-ethyl-2-(5-ethylthiophen-2-yl)-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 65423043

Frequently Asked Questions

What is the IUPAC name of N-[1-(7-bicyclo[4.1.0]heptanyl)-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(7-bicyclo[4.1.0]heptanyl)-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine (CID 115842387) is N-[1-(7-bicyclo[4.1.0]heptanyl)-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(7-bicyclo[4.1.0]heptanyl)-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(7-bicyclo[4.1.0]heptanyl)-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine is CCCNC(Cc1ccc(CC)s1)C1C2CCCCC21.
What is the InChIKey of N-[1-(7-bicyclo[4.1.0]heptanyl)-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine?
The InChIKey is XPOQJEUVFXVSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NS/c1-3-11-19-17(12-14-10-9-13(4-2)20-14)18-15-7-5-6-8-16(15)18/h9-10,15-19H,3-8,11-12H2,1-2H3.
What are the key properties of N-[1-(7-bicyclo[4.1.0]heptanyl)-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine?
N-[1-(7-bicyclo[4.1.0]heptanyl)-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine has a molecular weight of 291.50 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(7-bicyclo[4.1.0]heptanyl)-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 115842387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).