N-(2-cyclopentyl-4-thiophen-3-ylbutyl)cyclopropanamine

C16H25NS — CID 112570068

IUPACN-(2-cyclopentyl-4-thiophen-3-ylbutyl)cyclopropanamine
SMILESc1cc(CCC(CNC2CC2)C2CCCC2)cs1
InChIInChI=1S/C16H25NS/c1-2-4-14(3-1)15(11-17-16-7-8-16)6-5-13-9-10-18-12-13/h9-10,12,14-17H,1-8,11H2
InChIKeyIBYXVHLUZPCBMH-UHFFFAOYSA-N
MW263.45 g/mol
LogP4.24
Rot. Bonds7

About N-(2-cyclopentyl-4-thiophen-3-ylbutyl)cyclopropanamine

N-(2-cyclopentyl-4-thiophen-3-ylbutyl)cyclopropanamine (PubChem CID 112570068) has the molecular formula C16H25NS and a molecular weight of 263.45 g/mol. Its IUPAC name is N-(2-cyclopentyl-4-thiophen-3-ylbutyl)cyclopropanamine.

Molecular Properties

Compound NameN-(2-cyclopentyl-4-thiophen-3-ylbutyl)cyclopropanamine
PubChem CID112570068
Molecular FormulaC16H25NS
Molecular Weight263.45 g/mol
Exact Mass263.17
IUPAC NameN-(2-cyclopentyl-4-thiophen-3-ylbutyl)cyclopropanamine
SMILESc1cc(CCC(CNC2CC2)C2CCCC2)cs1
InChIInChI=1S/C16H25NS/c1-2-4-14(3-1)15(11-17-16-7-8-16)6-5-13-9-10-18-12-13/h9-10,12,14-17H,1-8,11H2
InChIKeyIBYXVHLUZPCBMH-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

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Related Compounds

N-(2-cyclopentyl-4-thiophen-2-ylbutyl)cyclopropanamine
CID 112570087
2-cyclopentyl-N-methyl-3-thiophen-3-ylpropan-1-amine
CID 112569789
1-cyclopropyl-N-methyl-3-thiophen-3-ylpropan-1-amine
CID 63354899
4-chloro-N-(2-thiophen-3-ylethyl)cyclohexan-1-amine
CID 65023897
N-[2-(3-fluorophenyl)-4-thiophen-3-ylbutyl]cyclopropanamine
CID 79441057
1-cyclopropyl-3-thiophen-3-ylpropan-1-ol
CID 63354651
4-propan-2-yl-N-(thiophen-3-ylmethyl)cyclohexan-1-amine
CID 63247711
N-[3,3-dimethyl-2-(thiophen-3-ylmethyl)butyl]cyclopropanamine
CID 83138742
1-cyclobutyl-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 64986471
1-cyclopentyl-N-ethyl-4-thiophen-3-ylbutan-2-amine
CID 115856888
N-[[2-(thiophen-3-ylmethyl)cyclohexyl]methyl]cyclopropanamine
CID 81024776
1-N-cyclopentyl-2-N-cyclopropyl-2-N-(thiophen-3-ylmethyl)propane-1,2-diamine
CID 62570532

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentyl-4-thiophen-3-ylbutyl)cyclopropanamine?
The IUPAC name of N-(2-cyclopentyl-4-thiophen-3-ylbutyl)cyclopropanamine (CID 112570068) is N-(2-cyclopentyl-4-thiophen-3-ylbutyl)cyclopropanamine.
What is the SMILES notation for N-(2-cyclopentyl-4-thiophen-3-ylbutyl)cyclopropanamine?
The canonical SMILES for N-(2-cyclopentyl-4-thiophen-3-ylbutyl)cyclopropanamine is c1cc(CCC(CNC2CC2)C2CCCC2)cs1.
What is the InChIKey of N-(2-cyclopentyl-4-thiophen-3-ylbutyl)cyclopropanamine?
The InChIKey is IBYXVHLUZPCBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NS/c1-2-4-14(3-1)15(11-17-16-7-8-16)6-5-13-9-10-18-12-13/h9-10,12,14-17H,1-8,11H2.
What are the key properties of N-(2-cyclopentyl-4-thiophen-3-ylbutyl)cyclopropanamine?
N-(2-cyclopentyl-4-thiophen-3-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-3-ylbutyl)cyclopropanamine is sourced from PubChem (CID 112570068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).