N-[2-(5-chlorothiophen-2-yl)ethyl]heptan-4-amine

C13H22ClNS — CID 106042280

IUPACN-[2-(5-chlorothiophen-2-yl)ethyl]heptan-4-amine
SMILESCCCC(CCC)NCCc1ccc(Cl)s1
InChIInChI=1S/C13H22ClNS/c1-3-5-11(6-4-2)15-10-9-12-7-8-13(14)16-12/h7-8,11,15H,3-6,9-10H2,1-2H3
InChIKeyZZNLJDWXSJLWMX-UHFFFAOYSA-N
MW259.85 g/mol
LogP4.50
Rot. Bonds8

About N-[2-(5-chlorothiophen-2-yl)ethyl]heptan-4-amine

N-[2-(5-chlorothiophen-2-yl)ethyl]heptan-4-amine (PubChem CID 106042280) has the molecular formula C13H22ClNS and a molecular weight of 259.85 g/mol. Its IUPAC name is N-[2-(5-chlorothiophen-2-yl)ethyl]heptan-4-amine.

Molecular Properties

Compound NameN-[2-(5-chlorothiophen-2-yl)ethyl]heptan-4-amine
PubChem CID106042280
Molecular FormulaC13H22ClNS
Molecular Weight259.85 g/mol
Exact Mass259.12
IUPAC NameN-[2-(5-chlorothiophen-2-yl)ethyl]heptan-4-amine
SMILESCCCC(CCC)NCCc1ccc(Cl)s1
InChIInChI=1S/C13H22ClNS/c1-3-5-11(6-4-2)15-10-9-12-7-8-13(14)16-12/h7-8,11,15H,3-6,9-10H2,1-2H3
InChIKeyZZNLJDWXSJLWMX-UHFFFAOYSA-N
XLogP4.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.85
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(5-chlorothiophen-2-yl)ethyl]hexan-3-amine
CID 115905549
N-[2-(5-chlorothiophen-2-yl)ethyl]pentan-2-amine
CID 115713587
3-[2-(5-chlorothiophen-2-yl)ethylamino]pentanenitrile
CID 106046568
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
ethyl 2-[2-(5-chlorothiophen-2-yl)ethylamino]butanoate
CID 106036934
1-(5-chlorothiophen-2-yl)-4-phenyl-N-propylbutan-2-amine
CID 63417307
1-(5-chlorothiophen-2-yl)-N-propylundecan-2-amine
CID 115841634
N-[2-(5-chlorothiophen-2-yl)ethyl]-1-cyclopropyl-2-methylpropan-1-amine
CID 115713605
N-ethyl-1-(5-ethylthiophen-2-yl)hexan-3-amine
CID 60996677
N-[2-(5-chlorothiophen-2-yl)ethyl]-4-methylpentan-1-amine
CID 102671613

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]heptan-4-amine?
The IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]heptan-4-amine (CID 106042280) is N-[2-(5-chlorothiophen-2-yl)ethyl]heptan-4-amine.
What is the SMILES notation for N-[2-(5-chlorothiophen-2-yl)ethyl]heptan-4-amine?
The canonical SMILES for N-[2-(5-chlorothiophen-2-yl)ethyl]heptan-4-amine is CCCC(CCC)NCCc1ccc(Cl)s1.
What is the InChIKey of N-[2-(5-chlorothiophen-2-yl)ethyl]heptan-4-amine?
The InChIKey is ZZNLJDWXSJLWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClNS/c1-3-5-11(6-4-2)15-10-9-12-7-8-13(14)16-12/h7-8,11,15H,3-6,9-10H2,1-2H3.
What are the key properties of N-[2-(5-chlorothiophen-2-yl)ethyl]heptan-4-amine?
N-[2-(5-chlorothiophen-2-yl)ethyl]heptan-4-amine has a molecular weight of 259.85 g/mol, XLogP of 4.50, 8 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]heptan-4-amine is sourced from PubChem (CID 106042280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).