5-chloro-N,3-dimethyl-N-(2-thiophen-2-ylethyl)pentan-1-amine

C13H22ClNS — CID 79485974

IUPAC5-chloro-N,3-dimethyl-N-(2-thiophen-2-ylethyl)pentan-1-amine
SMILESCC(CCCl)CCN(C)CCc1cccs1
InChIInChI=1S/C13H22ClNS/c1-12(5-8-14)6-9-15(2)10-7-13-4-3-11-16-13/h3-4,11-12H,5-10H2,1-2H3
InChIKeyCRJVKGNWFLXFQD-UHFFFAOYSA-N
MW259.85 g/mol
LogP3.88
Rot. Bonds8

About 5-chloro-N,3-dimethyl-N-(2-thiophen-2-ylethyl)pentan-1-amine

5-chloro-N,3-dimethyl-N-(2-thiophen-2-ylethyl)pentan-1-amine (PubChem CID 79485974) has the molecular formula C13H22ClNS and a molecular weight of 259.85 g/mol. Its IUPAC name is 5-chloro-N,3-dimethyl-N-(2-thiophen-2-ylethyl)pentan-1-amine.

Molecular Properties

Compound Name5-chloro-N,3-dimethyl-N-(2-thiophen-2-ylethyl)pentan-1-amine
PubChem CID79485974
Molecular FormulaC13H22ClNS
Molecular Weight259.85 g/mol
Exact Mass259.12
IUPAC Name5-chloro-N,3-dimethyl-N-(2-thiophen-2-ylethyl)pentan-1-amine
SMILESCC(CCCl)CCN(C)CCc1cccs1
InChIInChI=1S/C13H22ClNS/c1-12(5-8-14)6-9-15(2)10-7-13-4-3-11-16-13/h3-4,11-12H,5-10H2,1-2H3
InChIKeyCRJVKGNWFLXFQD-UHFFFAOYSA-N
XLogP3.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.85
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol
CID 94254566
4-[4-[methyl(2-thiophen-2-ylethyl)amino]butan-2-yl]aniline
CID 104501740
N'-methyl-2-(2-methylpropyl)-N'-(2-thiophen-2-ylethyl)butane-1,4-diamine
CID 79488348
2-bromo-N-methyl-N-(2-thiophen-2-ylethyl)propan-1-amine
CID 80668223
1-chloro-3-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol
CID 112561777
N'-methyl-N'-(2-thiophen-2-ylethyl)heptane-1,7-diamine
CID 79488346
1-(4-bromophenyl)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-1-ol
CID 79486833
1-(4-fluorophenyl)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-1-ol
CID 79486454
3-[methyl(2-thiophen-2-ylethyl)amino]propanenitrile
CID 63774352
N-ethyl-N'-methyl-1-phenyl-N'-(2-thiophen-2-ylethyl)propane-1,3-diamine
CID 79490107
1-(2-fluorophenyl)-3-[methyl(2-thiophen-2-ylethyl)amino]propan-1-ol
CID 79486832
N,N-dimethyl-2-thiophen-2-ylethanamine;hydrochloride
CID 19760547

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N,3-dimethyl-N-(2-thiophen-2-ylethyl)pentan-1-amine?
The IUPAC name of 5-chloro-N,3-dimethyl-N-(2-thiophen-2-ylethyl)pentan-1-amine (CID 79485974) is 5-chloro-N,3-dimethyl-N-(2-thiophen-2-ylethyl)pentan-1-amine.
What is the SMILES notation for 5-chloro-N,3-dimethyl-N-(2-thiophen-2-ylethyl)pentan-1-amine?
The canonical SMILES for 5-chloro-N,3-dimethyl-N-(2-thiophen-2-ylethyl)pentan-1-amine is CC(CCCl)CCN(C)CCc1cccs1.
What is the InChIKey of 5-chloro-N,3-dimethyl-N-(2-thiophen-2-ylethyl)pentan-1-amine?
The InChIKey is CRJVKGNWFLXFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClNS/c1-12(5-8-14)6-9-15(2)10-7-13-4-3-11-16-13/h3-4,11-12H,5-10H2,1-2H3.
What are the key properties of 5-chloro-N,3-dimethyl-N-(2-thiophen-2-ylethyl)pentan-1-amine?
5-chloro-N,3-dimethyl-N-(2-thiophen-2-ylethyl)pentan-1-amine has a molecular weight of 259.85 g/mol, XLogP of 3.88, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N,3-dimethyl-N-(2-thiophen-2-ylethyl)pentan-1-amine is sourced from PubChem (CID 79485974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).