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

C12H20ClNS — CID 115845349

IUPAC1-(5-chlorothiophen-2-yl)-N,3-dimethylhexan-1-amine
SMILESCCCC(C)CC(NC)c1ccc(Cl)s1
InChIInChI=1S/C12H20ClNS/c1-4-5-9(2)8-10(14-3)11-6-7-12(13)15-11/h6-7,9-10,14H,4-5,8H2,1-3H3
InChIKeyWNLDKXSUHDMQHF-UHFFFAOYSA-N
MW245.82 g/mol
LogP4.49
Rot. Bonds6

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

1-(5-chlorothiophen-2-yl)-N,3-dimethylhexan-1-amine (PubChem CID 115845349) has the molecular formula C12H20ClNS and a molecular weight of 245.82 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-N,3-dimethylhexan-1-amine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-N,3-dimethylhexan-1-amine
PubChem CID115845349
Molecular FormulaC12H20ClNS
Molecular Weight245.82 g/mol
Exact Mass245.10
IUPAC Name1-(5-chlorothiophen-2-yl)-N,3-dimethylhexan-1-amine
SMILESCCCC(C)CC(NC)c1ccc(Cl)s1
InChIInChI=1S/C12H20ClNS/c1-4-5-9(2)8-10(14-3)11-6-7-12(13)15-11/h6-7,9-10,14H,4-5,8H2,1-3H3
InChIKeyWNLDKXSUHDMQHF-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-(5-chlorothiophen-2-yl)-N-ethyl-3,5-dimethylhexan-1-amine
CID 114201788
1-(5-chlorothiophen-2-yl)-1-N,4-dimethylpentane-1,4-diamine
CID 116950192
N-[1-(5-chlorothiophen-2-yl)ethyl]pentan-2-amine
CID 43438933
N,3-dimethyl-1-(5-methylthiophen-2-yl)pentan-1-amine
CID 114874222
[1-(5-chlorothiophen-2-yl)-2-methylpentyl]hydrazine
CID 105328244
1-(3-chloro-4-methylphenyl)-N,3-dimethylhexan-1-amine
CID 115845717
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-phenylbutan-1-amine
CID 43692482
(2S)-2-amino-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]pentanamide
CID 93267274
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-thiophen-2-ylbutan-1-amine
CID 54962931
1-(5-chlorothiophen-2-yl)-N,2-dimethylprop-2-en-1-amine
CID 105005210
1-(4-chloro-2-methoxyphenyl)-N,3-dimethylhexan-1-amine
CID 115845267
N-[1-(5-chlorothiophen-2-yl)propyl]-3-methylsulfanylbutan-1-amine
CID 115716203

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-N,3-dimethylhexan-1-amine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-N,3-dimethylhexan-1-amine (CID 115845349) is 1-(5-chlorothiophen-2-yl)-N,3-dimethylhexan-1-amine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-N,3-dimethylhexan-1-amine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-N,3-dimethylhexan-1-amine is CCCC(C)CC(NC)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-N,3-dimethylhexan-1-amine?
The InChIKey is WNLDKXSUHDMQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClNS/c1-4-5-9(2)8-10(14-3)11-6-7-12(13)15-11/h6-7,9-10,14H,4-5,8H2,1-3H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-N,3-dimethylhexan-1-amine?
1-(5-chlorothiophen-2-yl)-N,3-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-(5-chlorothiophen-2-yl)-N,3-dimethylhexan-1-amine is sourced from PubChem (CID 115845349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).