N-(2-cyclopentyl-4-thiophen-2-ylbutyl)cyclopropanamine

C16H25NS — CID 112570087

IUPACN-(2-cyclopentyl-4-thiophen-2-ylbutyl)cyclopropanamine
SMILESc1csc(CCC(CNC2CC2)C2CCCC2)c1
InChIInChI=1S/C16H25NS/c1-2-5-13(4-1)14(12-17-15-8-9-15)7-10-16-6-3-11-18-16/h3,6,11,13-15,17H,1-2,4-5,7-10,12H2
InChIKeyCQYZBYHZMONJSU-UHFFFAOYSA-N
MW263.45 g/mol
LogP4.24
Rot. Bonds7

About N-(2-cyclopentyl-4-thiophen-2-ylbutyl)cyclopropanamine

N-(2-cyclopentyl-4-thiophen-2-ylbutyl)cyclopropanamine (PubChem CID 112570087) has the molecular formula C16H25NS and a molecular weight of 263.45 g/mol. Its IUPAC name is N-(2-cyclopentyl-4-thiophen-2-ylbutyl)cyclopropanamine.

Molecular Properties

Compound NameN-(2-cyclopentyl-4-thiophen-2-ylbutyl)cyclopropanamine
PubChem CID112570087
Molecular FormulaC16H25NS
Molecular Weight263.45 g/mol
Exact Mass263.17
IUPAC NameN-(2-cyclopentyl-4-thiophen-2-ylbutyl)cyclopropanamine
SMILESc1csc(CCC(CNC2CC2)C2CCCC2)c1
InChIInChI=1S/C16H25NS/c1-2-5-13(4-1)14(12-17-15-8-9-15)7-10-16-6-3-11-18-16/h3,6,11,13-15,17H,1-2,4-5,7-10,12H2
InChIKeyCQYZBYHZMONJSU-UHFFFAOYSA-N
XLogP4.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.45
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-cyclopentyl-4-thiophen-2-ylbutyl)cyclopropanamine 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

2-cyclopentyl-N-propyl-4-thiophen-2-ylbutan-1-amine
CID 112569967
(1-cyclohexyl-3-thiophen-2-ylpropyl)hydrazine
CID 105201759
N-(2-cyclopentyl-4-thiophen-3-ylbutyl)cyclopropanamine
CID 112570068
4-chloro-N-(2-thiophen-2-ylethyl)cyclohexan-1-amine
CID 65023554
(1R)-1-cyclopentyl-N-(2-thiophen-2-ylethyl)ethanamine
CID 81395803
1-N-cyclopropyl-2-N-(4-thiophen-2-ylbutyl)propane-1,2-diamine
CID 113407448
N-[2-phenyl-2-(2-thiophen-2-ylethoxy)ethyl]cyclopropanamine
CID 62486353
1-N-cyclopentyl-2-N-propan-2-yl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 62568174
N-(thiophen-2-ylmethyl)cycloheptanamine
CID 4719997
1-cyclohexyl-4-thiophen-2-ylbutan-2-amine
CID 115860772
1-N-cyclopropyl-3-N,2-dimethyl-3-N-(2-thiophen-2-ylethyl)butane-1,3-diamine
CID 79494865
N,N'-dicyclopropyl-2-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62412914

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentyl-4-thiophen-2-ylbutyl)cyclopropanamine?
The IUPAC name of N-(2-cyclopentyl-4-thiophen-2-ylbutyl)cyclopropanamine (CID 112570087) is N-(2-cyclopentyl-4-thiophen-2-ylbutyl)cyclopropanamine.
What is the SMILES notation for N-(2-cyclopentyl-4-thiophen-2-ylbutyl)cyclopropanamine?
The canonical SMILES for N-(2-cyclopentyl-4-thiophen-2-ylbutyl)cyclopropanamine is c1csc(CCC(CNC2CC2)C2CCCC2)c1.
What is the InChIKey of N-(2-cyclopentyl-4-thiophen-2-ylbutyl)cyclopropanamine?
The InChIKey is CQYZBYHZMONJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NS/c1-2-5-13(4-1)14(12-17-15-8-9-15)7-10-16-6-3-11-18-16/h3,6,11,13-15,17H,1-2,4-5,7-10,12H2.
What are the key properties of N-(2-cyclopentyl-4-thiophen-2-ylbutyl)cyclopropanamine?
N-(2-cyclopentyl-4-thiophen-2-ylbutyl)cyclopropanamine has a molecular weight of 263.45 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentyl-4-thiophen-2-ylbutyl)cyclopropanamine is sourced from PubChem (CID 112570087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).