N-[1-(5-chlorothiophen-2-yl)ethyl]pentan-2-amine

C11H18ClNS — CID 43438933

IUPACN-[1-(5-chlorothiophen-2-yl)ethyl]pentan-2-amine
SMILESCCCC(C)NC(C)c1ccc(Cl)s1
InChIInChI=1S/C11H18ClNS/c1-4-5-8(2)13-9(3)10-6-7-11(12)14-10/h6-9,13H,4-5H2,1-3H3
InChIKeyLHLDEXFICGDMLA-UHFFFAOYSA-N
MW231.79 g/mol
LogP4.24
Rot. Bonds5

About N-[1-(5-chlorothiophen-2-yl)ethyl]pentan-2-amine

N-[1-(5-chlorothiophen-2-yl)ethyl]pentan-2-amine (PubChem CID 43438933) has the molecular formula C11H18ClNS and a molecular weight of 231.79 g/mol. Its IUPAC name is N-[1-(5-chlorothiophen-2-yl)ethyl]pentan-2-amine.

Molecular Properties

Compound NameN-[1-(5-chlorothiophen-2-yl)ethyl]pentan-2-amine
PubChem CID43438933
Molecular FormulaC11H18ClNS
Molecular Weight231.79 g/mol
Exact Mass231.08
IUPAC NameN-[1-(5-chlorothiophen-2-yl)ethyl]pentan-2-amine
SMILESCCCC(C)NC(C)c1ccc(Cl)s1
InChIInChI=1S/C11H18ClNS/c1-4-5-8(2)13-9(3)10-6-7-11(12)14-10/h6-9,13H,4-5H2,1-3H3
InChIKeyLHLDEXFICGDMLA-UHFFFAOYSA-N
XLogP4.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.79
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chlorothiophen-2-yl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine
CID 43692517
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-phenylbutan-1-amine
CID 43692482
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-methoxypropan-2-amine
CID 43438937
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-thiophen-2-ylbutan-1-amine
CID 54962931
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-methylpentan-3-amine
CID 43782969
1-(2-chlorophenyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]propan-2-amine
CID 43677459
2-[1-(5-chlorothiophen-2-yl)ethylamino]-4-methylsulfanylbutan-1-ol
CID 115894315
2-[1-(5-chlorothiophen-2-yl)ethylamino]-N-propylpropanamide
CID 43435789
(2S)-2-amino-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]pentanamide
CID 93267274
1-(4-chlorophenyl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine
CID 43382000
[1-(5-chlorothiophen-2-yl)-2-methylpentyl]hydrazine
CID 105328244
(1R)-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-1-pyridin-4-ylpropan-1-amine
CID 97322859

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]pentan-2-amine?
The IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]pentan-2-amine (CID 43438933) is N-[1-(5-chlorothiophen-2-yl)ethyl]pentan-2-amine.
What is the SMILES notation for N-[1-(5-chlorothiophen-2-yl)ethyl]pentan-2-amine?
The canonical SMILES for N-[1-(5-chlorothiophen-2-yl)ethyl]pentan-2-amine is CCCC(C)NC(C)c1ccc(Cl)s1.
What is the InChIKey of N-[1-(5-chlorothiophen-2-yl)ethyl]pentan-2-amine?
The InChIKey is LHLDEXFICGDMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClNS/c1-4-5-8(2)13-9(3)10-6-7-11(12)14-10/h6-9,13H,4-5H2,1-3H3.
What are the key properties of N-[1-(5-chlorothiophen-2-yl)ethyl]pentan-2-amine?
N-[1-(5-chlorothiophen-2-yl)ethyl]pentan-2-amine has a molecular weight of 231.79 g/mol, XLogP of 4.24, 5 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]pentan-2-amine is sourced from PubChem (CID 43438933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).