1-(3-chlorothiophen-2-yl)-N,5-dimethylhexan-1-amine

C12H20ClNS — CID 105028560

IUPAC1-(3-chlorothiophen-2-yl)-N,5-dimethylhexan-1-amine
SMILESCNC(CCCC(C)C)c1sccc1Cl
InChIInChI=1S/C12H20ClNS/c1-9(2)5-4-6-11(14-3)12-10(13)7-8-15-12/h7-9,11,14H,4-6H2,1-3H3
InChIKeyJARDBDYGRYYNLD-UHFFFAOYSA-N
MW245.82 g/mol
LogP4.49
Rot. Bonds6

About 1-(3-chlorothiophen-2-yl)-N,5-dimethylhexan-1-amine

1-(3-chlorothiophen-2-yl)-N,5-dimethylhexan-1-amine (PubChem CID 105028560) has the molecular formula C12H20ClNS and a molecular weight of 245.82 g/mol. Its IUPAC name is 1-(3-chlorothiophen-2-yl)-N,5-dimethylhexan-1-amine.

Molecular Properties

Compound Name1-(3-chlorothiophen-2-yl)-N,5-dimethylhexan-1-amine
PubChem CID105028560
Molecular FormulaC12H20ClNS
Molecular Weight245.82 g/mol
Exact Mass245.10
IUPAC Name1-(3-chlorothiophen-2-yl)-N,5-dimethylhexan-1-amine
SMILESCNC(CCCC(C)C)c1sccc1Cl
InChIInChI=1S/C12H20ClNS/c1-9(2)5-4-6-11(14-3)12-10(13)7-8-15-12/h7-9,11,14H,4-6H2,1-3H3
InChIKeyJARDBDYGRYYNLD-UHFFFAOYSA-N
XLogP4.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.82
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorothiophen-2-yl)-N-methyltridecan-1-amine
CID 115846498
1-(3-chlorothiophen-2-yl)-N-methyl-2-propan-2-yloxyethanamine
CID 105013001
1-(3-chlorothiophen-2-yl)-N,3,4,4-tetramethylpentan-1-amine
CID 80529216
1-(3-chlorothiophen-2-yl)nonylhydrazine
CID 105294361
1-(3-chlorothiophen-2-yl)-N-ethylundecan-1-amine
CID 115846003
1-(3-chlorothiophen-2-yl)-N-propyldecan-1-amine
CID 80529601
1-(3-chlorothiophen-2-yl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 107361690
2-(1-bromo-4-methylpentyl)-3-chlorothiophene
CID 80530517
1-(3-chlorothiophen-2-yl)-4-ethoxy-N-ethylbutan-1-amine
CID 107361923
2-(3-chlorophenyl)-1-(3-chlorothiophen-2-yl)-N-methylethanamine
CID 80529067
1-(3-chlorothiophen-2-yl)-N-ethyl-2-propan-2-ylsulfanylethanamine
CID 107359774
1-(3-ethylthiophen-2-yl)-N-methylhexan-1-amine
CID 115837220

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorothiophen-2-yl)-N,5-dimethylhexan-1-amine?
The IUPAC name of 1-(3-chlorothiophen-2-yl)-N,5-dimethylhexan-1-amine (CID 105028560) is 1-(3-chlorothiophen-2-yl)-N,5-dimethylhexan-1-amine.
What is the SMILES notation for 1-(3-chlorothiophen-2-yl)-N,5-dimethylhexan-1-amine?
The canonical SMILES for 1-(3-chlorothiophen-2-yl)-N,5-dimethylhexan-1-amine is CNC(CCCC(C)C)c1sccc1Cl.
What is the InChIKey of 1-(3-chlorothiophen-2-yl)-N,5-dimethylhexan-1-amine?
The InChIKey is JARDBDYGRYYNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClNS/c1-9(2)5-4-6-11(14-3)12-10(13)7-8-15-12/h7-9,11,14H,4-6H2,1-3H3.
What are the key properties of 1-(3-chlorothiophen-2-yl)-N,5-dimethylhexan-1-amine?
1-(3-chlorothiophen-2-yl)-N,5-dimethylhexan-1-amine has a molecular weight of 245.82 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorothiophen-2-yl)-N,5-dimethylhexan-1-amine is sourced from PubChem (CID 105028560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).