1-(3-chlorothiophen-2-yl)-N,3,4,4-tetramethylpentan-1-amine

C13H22ClNS — CID 80529216

IUPAC1-(3-chlorothiophen-2-yl)-N,3,4,4-tetramethylpentan-1-amine
SMILESCNC(CC(C)C(C)(C)C)c1sccc1Cl
InChIInChI=1S/C13H22ClNS/c1-9(13(2,3)4)8-11(15-5)12-10(14)6-7-16-12/h6-7,9,11,15H,8H2,1-5H3
InChIKeyMUMRYEARWFDIFA-UHFFFAOYSA-N
MW259.85 g/mol
LogP4.73
Rot. Bonds4

About 1-(3-chlorothiophen-2-yl)-N,3,4,4-tetramethylpentan-1-amine

1-(3-chlorothiophen-2-yl)-N,3,4,4-tetramethylpentan-1-amine (PubChem CID 80529216) has the molecular formula C13H22ClNS and a molecular weight of 259.85 g/mol. Its IUPAC name is 1-(3-chlorothiophen-2-yl)-N,3,4,4-tetramethylpentan-1-amine.

Molecular Properties

Compound Name1-(3-chlorothiophen-2-yl)-N,3,4,4-tetramethylpentan-1-amine
PubChem CID80529216
Molecular FormulaC13H22ClNS
Molecular Weight259.85 g/mol
Exact Mass259.12
IUPAC Name1-(3-chlorothiophen-2-yl)-N,3,4,4-tetramethylpentan-1-amine
SMILESCNC(CC(C)C(C)(C)C)c1sccc1Cl
InChIInChI=1S/C13H22ClNS/c1-9(13(2,3)4)8-11(15-5)12-10(14)6-7-16-12/h6-7,9,11,15H,8H2,1-5H3
InChIKeyMUMRYEARWFDIFA-UHFFFAOYSA-N
XLogP4.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.85
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorothiophen-2-yl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 107361690
1-(3-chlorothiophen-2-yl)-N,5-dimethylhexan-1-amine
CID 105028560
1-(3-chlorothiophen-2-yl)-N-methyl-2-propan-2-yloxyethanamine
CID 105013001
1-(3-chlorothiophen-2-yl)-N-methyltridecan-1-amine
CID 115846498
1-(3-chlorothiophen-2-yl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 80528966
1-(1-benzothiophen-3-yl)-N,3,4,4-tetramethylpentan-1-amine
CID 63833773
2-(3-chlorophenyl)-1-(3-chlorothiophen-2-yl)-N-methylethanamine
CID 80529067
1-(3-chlorothiophen-2-yl)-N-methyl-2-[4-(trifluoromethoxy)phenyl]ethanamine
CID 115843408
[1-(3-chlorothiophen-2-yl)-3-methoxy-3-methylbutyl]hydrazine
CID 107362297
1-(3-chlorothiophen-2-yl)-N-methyl-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 104999475
1-(3-chlorothiophen-2-yl)-5,5-dimethyl-N-propylhex-3-yn-1-amine
CID 114190699
[1-(3-chlorothiophen-2-yl)-4-methoxy-3-methylbutyl]hydrazine
CID 107362431

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorothiophen-2-yl)-N,3,4,4-tetramethylpentan-1-amine?
The IUPAC name of 1-(3-chlorothiophen-2-yl)-N,3,4,4-tetramethylpentan-1-amine (CID 80529216) is 1-(3-chlorothiophen-2-yl)-N,3,4,4-tetramethylpentan-1-amine.
What is the SMILES notation for 1-(3-chlorothiophen-2-yl)-N,3,4,4-tetramethylpentan-1-amine?
The canonical SMILES for 1-(3-chlorothiophen-2-yl)-N,3,4,4-tetramethylpentan-1-amine is CNC(CC(C)C(C)(C)C)c1sccc1Cl.
What is the InChIKey of 1-(3-chlorothiophen-2-yl)-N,3,4,4-tetramethylpentan-1-amine?
The InChIKey is MUMRYEARWFDIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClNS/c1-9(13(2,3)4)8-11(15-5)12-10(14)6-7-16-12/h6-7,9,11,15H,8H2,1-5H3.
What are the key properties of 1-(3-chlorothiophen-2-yl)-N,3,4,4-tetramethylpentan-1-amine?
1-(3-chlorothiophen-2-yl)-N,3,4,4-tetramethylpentan-1-amine has a molecular weight of 259.85 g/mol, XLogP of 4.73, 4 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,3,4,4-tetramethylpentan-1-amine is sourced from PubChem (CID 80529216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).