N-[[2-(thiophen-3-ylmethyl)cyclopentyl]methyl]cyclopropanamine

C14H21NS — CID 81026994

IUPACN-[[2-(thiophen-3-ylmethyl)cyclopentyl]methyl]cyclopropanamine
SMILESc1cc(CC2CCCC2CNC2CC2)cs1
InChIInChI=1S/C14H21NS/c1-2-12(8-11-6-7-16-10-11)13(3-1)9-15-14-4-5-14/h6-7,10,12-15H,1-5,8-9H2
InChIKeySMLYZNMLPHKXON-UHFFFAOYSA-N
MW235.40 g/mol
LogP3.46
Rot. Bonds5

About N-[[2-(thiophen-3-ylmethyl)cyclopentyl]methyl]cyclopropanamine

N-[[2-(thiophen-3-ylmethyl)cyclopentyl]methyl]cyclopropanamine (PubChem CID 81026994) has the molecular formula C14H21NS and a molecular weight of 235.40 g/mol. Its IUPAC name is N-[[2-(thiophen-3-ylmethyl)cyclopentyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(thiophen-3-ylmethyl)cyclopentyl]methyl]cyclopropanamine
PubChem CID81026994
Molecular FormulaC14H21NS
Molecular Weight235.40 g/mol
Exact Mass235.14
IUPAC NameN-[[2-(thiophen-3-ylmethyl)cyclopentyl]methyl]cyclopropanamine
SMILESc1cc(CC2CCCC2CNC2CC2)cs1
InChIInChI=1S/C14H21NS/c1-2-12(8-11-6-7-16-10-11)13(3-1)9-15-14-4-5-14/h6-7,10,12-15H,1-5,8-9H2
InChIKeySMLYZNMLPHKXON-UHFFFAOYSA-N
XLogP3.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.40
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(thiophen-3-ylmethyl)cyclohexyl]methyl]cyclopropanamine
CID 81024776
N-methyl-1-[2-(thiophen-3-ylmethyl)cyclopentyl]methanamine
CID 81032845
N-[[2-(thiophen-3-ylmethyl)cyclohexyl]methyl]propan-2-amine
CID 81024765
2-methyl-N-[[2-(thiophen-3-ylmethyl)cycloheptyl]methyl]propan-1-amine
CID 81025637
N-[[2-[[4-(trifluoromethyl)phenyl]methyl]cyclopentyl]methyl]cyclopropanamine
CID 81026989
N-[[2-[(3,4-dichlorophenyl)methyl]cyclopentyl]methyl]cyclopropanamine
CID 81034512
N-[[2-(pyridin-4-ylmethyl)cycloheptyl]methyl]cyclopropanamine
CID 81026278
N-methyl-1-[2-(2-thiophen-3-ylethyl)cyclopentyl]methanamine
CID 81034577
N-[[2-[(4-iodophenyl)methyl]cyclobutyl]methyl]cyclopropanamine
CID 81017966
N-[[1-(thiophen-3-ylmethyl)piperidin-2-yl]methyl]cyclopropanamine
CID 62579502
N-[[2-[(2,4-dichlorophenyl)methyl]cyclopentyl]methyl]cyclopropanamine
CID 81033598
N-[[2-[(2,5-dimethylphenyl)methyl]cyclopentyl]methyl]cyclopropanamine
CID 81034224

Frequently Asked Questions

What is the IUPAC name of N-[[2-(thiophen-3-ylmethyl)cyclopentyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(thiophen-3-ylmethyl)cyclopentyl]methyl]cyclopropanamine (CID 81026994) is N-[[2-(thiophen-3-ylmethyl)cyclopentyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(thiophen-3-ylmethyl)cyclopentyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(thiophen-3-ylmethyl)cyclopentyl]methyl]cyclopropanamine is c1cc(CC2CCCC2CNC2CC2)cs1.
What is the InChIKey of N-[[2-(thiophen-3-ylmethyl)cyclopentyl]methyl]cyclopropanamine?
The InChIKey is SMLYZNMLPHKXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NS/c1-2-12(8-11-6-7-16-10-11)13(3-1)9-15-14-4-5-14/h6-7,10,12-15H,1-5,8-9H2.
What are the key properties of N-[[2-(thiophen-3-ylmethyl)cyclopentyl]methyl]cyclopropanamine?
N-[[2-(thiophen-3-ylmethyl)cyclopentyl]methyl]cyclopropanamine has a molecular weight of 235.40 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(thiophen-3-ylmethyl)cyclopentyl]methyl]cyclopropanamine is sourced from PubChem (CID 81026994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).