N-[1-(5-chlorothiophen-2-yl)ethyl]-2,3-dimethylcyclopentan-1-amine

C13H20ClNS — CID 64910199

IUPACN-[1-(5-chlorothiophen-2-yl)ethyl]-2,3-dimethylcyclopentan-1-amine
SMILESCC(NC1CCC(C)C1C)c1ccc(Cl)s1
InChIInChI=1S/C13H20ClNS/c1-8-4-5-11(9(8)2)15-10(3)12-6-7-13(14)16-12/h6-11,15H,4-5H2,1-3H3
InChIKeyZTPAKGIZWMQYGJ-UHFFFAOYSA-N
MW257.83 g/mol
LogP4.49
Rot. Bonds3

About N-[1-(5-chlorothiophen-2-yl)ethyl]-2,3-dimethylcyclopentan-1-amine

N-[1-(5-chlorothiophen-2-yl)ethyl]-2,3-dimethylcyclopentan-1-amine (PubChem CID 64910199) has the molecular formula C13H20ClNS and a molecular weight of 257.83 g/mol. Its IUPAC name is N-[1-(5-chlorothiophen-2-yl)ethyl]-2,3-dimethylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[1-(5-chlorothiophen-2-yl)ethyl]-2,3-dimethylcyclopentan-1-amine
PubChem CID64910199
Molecular FormulaC13H20ClNS
Molecular Weight257.83 g/mol
Exact Mass257.10
IUPAC NameN-[1-(5-chlorothiophen-2-yl)ethyl]-2,3-dimethylcyclopentan-1-amine
SMILESCC(NC1CCC(C)C1C)c1ccc(Cl)s1
InChIInChI=1S/C13H20ClNS/c1-8-4-5-11(9(8)2)15-10(3)12-6-7-13(14)16-12/h6-11,15H,4-5H2,1-3H3
InChIKeyZTPAKGIZWMQYGJ-UHFFFAOYSA-N
XLogP4.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.83
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(5-chlorothiophen-2-yl)ethyl]-2,3-dimethylcyclopentan-1-amine with MolForge

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Related Compounds

N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]cyclobutanamine
CID 130718926
N-[1-(5-chlorothiophen-2-yl)ethyl]cycloheptanamine
CID 43427139
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-cyclopropyloxolan-3-amine
CID 113349300
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105364025
2-[1-(5-chlorothiophen-2-yl)ethylamino]cycloheptane-1-carbonitrile
CID 62742244
1-(5-chlorothiophen-2-yl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine
CID 43692517
N-[1-(5-chlorothiophen-2-yl)ethyl]-4-propan-2-yloxycyclohexan-1-amine
CID 75470334
2-[1-[(2,3-dimethylcyclopentyl)amino]ethyl]phenol
CID 64908843
3-(4-chlorophenyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]cyclobutan-1-amine
CID 43692587
N-[1-(5-chlorothiophen-2-yl)ethyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 115708438
N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-2,4-dimethylcyclohexan-1-amine
CID 63996037
3-[1-(5-chlorothiophen-2-yl)ethylamino]piperidin-2-one
CID 62093216

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-2,3-dimethylcyclopentan-1-amine?
The IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-2,3-dimethylcyclopentan-1-amine (CID 64910199) is N-[1-(5-chlorothiophen-2-yl)ethyl]-2,3-dimethylcyclopentan-1-amine.
What is the SMILES notation for N-[1-(5-chlorothiophen-2-yl)ethyl]-2,3-dimethylcyclopentan-1-amine?
The canonical SMILES for N-[1-(5-chlorothiophen-2-yl)ethyl]-2,3-dimethylcyclopentan-1-amine is CC(NC1CCC(C)C1C)c1ccc(Cl)s1.
What is the InChIKey of N-[1-(5-chlorothiophen-2-yl)ethyl]-2,3-dimethylcyclopentan-1-amine?
The InChIKey is ZTPAKGIZWMQYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNS/c1-8-4-5-11(9(8)2)15-10(3)12-6-7-13(14)16-12/h6-11,15H,4-5H2,1-3H3.
What are the key properties of N-[1-(5-chlorothiophen-2-yl)ethyl]-2,3-dimethylcyclopentan-1-amine?
N-[1-(5-chlorothiophen-2-yl)ethyl]-2,3-dimethylcyclopentan-1-amine has a molecular weight of 257.83 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chlorothiophen-2-yl)ethyl]-2,3-dimethylcyclopentan-1-amine is sourced from PubChem (CID 64910199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).