N-[2-(5-chlorothiophen-2-yl)ethyl]hexan-3-amine

C12H20ClNS — CID 115905549

IUPACN-[2-(5-chlorothiophen-2-yl)ethyl]hexan-3-amine
SMILESCCCC(CC)NCCc1ccc(Cl)s1
InChIInChI=1S/C12H20ClNS/c1-3-5-10(4-2)14-9-8-11-6-7-12(13)15-11/h6-7,10,14H,3-5,8-9H2,1-2H3
InChIKeyLUIGORJMTDRVNT-UHFFFAOYSA-N
MW245.82 g/mol
LogP4.11
Rot. Bonds7

About N-[2-(5-chlorothiophen-2-yl)ethyl]hexan-3-amine

N-[2-(5-chlorothiophen-2-yl)ethyl]hexan-3-amine (PubChem CID 115905549) has the molecular formula C12H20ClNS and a molecular weight of 245.82 g/mol. Its IUPAC name is N-[2-(5-chlorothiophen-2-yl)ethyl]hexan-3-amine.

Molecular Properties

Compound NameN-[2-(5-chlorothiophen-2-yl)ethyl]hexan-3-amine
PubChem CID115905549
Molecular FormulaC12H20ClNS
Molecular Weight245.82 g/mol
Exact Mass245.10
IUPAC NameN-[2-(5-chlorothiophen-2-yl)ethyl]hexan-3-amine
SMILESCCCC(CC)NCCc1ccc(Cl)s1
InChIInChI=1S/C12H20ClNS/c1-3-5-10(4-2)14-9-8-11-6-7-12(13)15-11/h6-7,10,14H,3-5,8-9H2,1-2H3
InChIKeyLUIGORJMTDRVNT-UHFFFAOYSA-N
XLogP4.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.82
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(5-chlorothiophen-2-yl)ethyl]hexan-3-amine 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

N-[2-(5-chlorothiophen-2-yl)ethyl]heptan-4-amine
CID 106042280
N-[2-(5-chlorothiophen-2-yl)ethyl]pentan-2-amine
CID 115713587
3-[2-(5-chlorothiophen-2-yl)ethylamino]pentanenitrile
CID 106046568
ethyl 2-[2-(5-chlorothiophen-2-yl)ethylamino]butanoate
CID 106036934
2-chloro-5-(3-chlorohexyl)thiophene
CID 63460183
N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(4-propylphenyl)ethanamine
CID 106041158
N-[2-(5-chlorothiophen-2-yl)ethyl]-1,1-dimethoxypropan-2-amine
CID 106042292
2-(4-bromohexyl)-5-chlorothiophene
CID 64509206
1-(5-chlorothiophen-2-yl)-4-phenyl-N-propylbutan-2-amine
CID 63417307
N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(4-methoxyphenyl)propan-1-amine
CID 106041834
1-(5-chlorothiophen-2-yl)-N-propylundecan-2-amine
CID 115841634
1-(5-chlorothiophen-2-yl)-4-methyl-N-propylhexan-2-amine
CID 115841697

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]hexan-3-amine?
The IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]hexan-3-amine (CID 115905549) is N-[2-(5-chlorothiophen-2-yl)ethyl]hexan-3-amine.
What is the SMILES notation for N-[2-(5-chlorothiophen-2-yl)ethyl]hexan-3-amine?
The canonical SMILES for N-[2-(5-chlorothiophen-2-yl)ethyl]hexan-3-amine is CCCC(CC)NCCc1ccc(Cl)s1.
What is the InChIKey of N-[2-(5-chlorothiophen-2-yl)ethyl]hexan-3-amine?
The InChIKey is LUIGORJMTDRVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClNS/c1-3-5-10(4-2)14-9-8-11-6-7-12(13)15-11/h6-7,10,14H,3-5,8-9H2,1-2H3.
What are the key properties of N-[2-(5-chlorothiophen-2-yl)ethyl]hexan-3-amine?
N-[2-(5-chlorothiophen-2-yl)ethyl]hexan-3-amine has a molecular weight of 245.82 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chlorothiophen-2-yl)ethyl]hexan-3-amine is sourced from PubChem (CID 115905549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).