N-[cyclopropyl(thiophen-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine

C15H19NS2 — CID 54983030

IUPACN-[cyclopropyl(thiophen-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine
SMILESCCC(NC(c1cccs1)C1CC1)c1cccs1
InChIInChI=1S/C15H19NS2/c1-2-12(13-5-3-9-17-13)16-15(11-7-8-11)14-6-4-10-18-14/h3-6,9-12,15-16H,2,7-8H2,1H3
InChIKeyQTEGMQXVZBTLPR-UHFFFAOYSA-N
MW277.46 g/mol
LogP5.00
Rot. Bonds6

About N-[cyclopropyl(thiophen-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine

N-[cyclopropyl(thiophen-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine (PubChem CID 54983030) has the molecular formula C15H19NS2 and a molecular weight of 277.46 g/mol. Its IUPAC name is N-[cyclopropyl(thiophen-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-[cyclopropyl(thiophen-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine
PubChem CID54983030
Molecular FormulaC15H19NS2
Molecular Weight277.46 g/mol
Exact Mass277.10
IUPAC NameN-[cyclopropyl(thiophen-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine
SMILESCCC(NC(c1cccs1)C1CC1)c1cccs1
InChIInChI=1S/C15H19NS2/c1-2-12(13-5-3-9-17-13)16-15(11-7-8-11)14-6-4-10-18-14/h3-6,9-12,15-16H,2,7-8H2,1H3
InChIKeyQTEGMQXVZBTLPR-UHFFFAOYSA-N
XLogP5.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.46
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[cyclopropyl(thiophen-2-yl)methyl]-1-thiophen-2-ylpropan-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-[cyclopentyl(thiophen-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 43740511
N-[cyclopropyl(phenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 43724241
N-[cyclopropyl(thiophen-2-yl)methyl]propan-2-amine
CID 60713978
N-[cyclopropyl(thiophen-2-yl)methyl]propan-1-amine
CID 43495964
[(4-ethylcyclohexyl)-thiophen-2-ylmethyl]hydrazine
CID 105193634
3-N-[cyclopropyl(thiophen-2-yl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine
CID 54983076
3-[[cyclopropyl(thiophen-2-yl)methyl]amino]-4-methylpentan-1-ol
CID 113350086
1-cyclopropyl-N-[(1-ethylcyclopropyl)methyl]-1-thiophen-2-ylmethanamine
CID 115898683
N-[cyclopropyl(thiophen-2-yl)methyl]-2-propylcyclopropan-1-amine
CID 115898671
(2S)-2-[[cyclopentyl(thiophen-2-yl)methyl]amino]-2-phenylethanol
CID 107862229
2,6-dimethyl-N-(1-thiophen-2-ylpropyl)heptan-4-amine
CID 63456212
N-[cyclopropyl(thiophen-2-yl)methyl]-1-(4-fluorophenyl)propan-2-amine
CID 62994889

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl(thiophen-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine?
The IUPAC name of N-[cyclopropyl(thiophen-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine (CID 54983030) is N-[cyclopropyl(thiophen-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for N-[cyclopropyl(thiophen-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine?
The canonical SMILES for N-[cyclopropyl(thiophen-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine is CCC(NC(c1cccs1)C1CC1)c1cccs1.
What is the InChIKey of N-[cyclopropyl(thiophen-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine?
The InChIKey is QTEGMQXVZBTLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NS2/c1-2-12(13-5-3-9-17-13)16-15(11-7-8-11)14-6-4-10-18-14/h3-6,9-12,15-16H,2,7-8H2,1H3.
What are the key properties of N-[cyclopropyl(thiophen-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine?
N-[cyclopropyl(thiophen-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine has a molecular weight of 277.46 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl(thiophen-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 54983030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).