1-(5-chlorothiophen-2-yl)-2-ethyl-N-propylhexan-1-amine

C15H26ClNS — CID 43496970

IUPAC1-(5-chlorothiophen-2-yl)-2-ethyl-N-propylhexan-1-amine
SMILESCCCCC(CC)C(NCCC)c1ccc(Cl)s1
InChIInChI=1S/C15H26ClNS/c1-4-7-8-12(6-3)15(17-11-5-2)13-9-10-14(16)18-13/h9-10,12,15,17H,4-8,11H2,1-3H3
InChIKeyDMECBQZKXUKUKZ-UHFFFAOYSA-N
MW287.90 g/mol
LogP5.66
Rot. Bonds9

About 1-(5-chlorothiophen-2-yl)-2-ethyl-N-propylhexan-1-amine

1-(5-chlorothiophen-2-yl)-2-ethyl-N-propylhexan-1-amine (PubChem CID 43496970) has the molecular formula C15H26ClNS and a molecular weight of 287.90 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-ethyl-N-propylhexan-1-amine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-ethyl-N-propylhexan-1-amine
PubChem CID43496970
Molecular FormulaC15H26ClNS
Molecular Weight287.90 g/mol
Exact Mass287.15
IUPAC Name1-(5-chlorothiophen-2-yl)-2-ethyl-N-propylhexan-1-amine
SMILESCCCCC(CC)C(NCCC)c1ccc(Cl)s1
InChIInChI=1S/C15H26ClNS/c1-4-7-8-12(6-3)15(17-11-5-2)13-9-10-14(16)18-13/h9-10,12,15,17H,4-8,11H2,1-3H3
InChIKeyDMECBQZKXUKUKZ-UHFFFAOYSA-N
XLogP5.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.90
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chlorothiophen-2-yl)-N,2-dipropylpentan-1-amine
CID 82984586
2-ethyl-1-(5-methylthiophen-2-yl)-N-propylhexan-1-amine
CID 43494115
1-(5-chlorothiophen-2-yl)-2-ethylhexan-1-ol
CID 61087799
1-(5-chlorothiophen-2-yl)-2-methoxy-3-methyl-N-propylbutan-1-amine
CID 116720675
N-[1-(5-chlorothiophen-2-yl)-2-methoxy-2-phenylethyl]propan-1-amine
CID 116773278
2-ethyl-1-(5-ethylthiophen-2-yl)-N-methylhexan-1-amine
CID 43480735
3-(5-chlorothiophen-2-yl)-N-propan-2-ylbutan-1-amine
CID 81018474
[1-(5-chlorothiophen-2-yl)-2-methylpentyl]hydrazine
CID 105328244
1-(5-chloro-2-methoxyphenyl)-2-ethyl-N-propylhexan-1-amine
CID 104546055
1-(5-chlorothiophen-2-yl)-N-propylhex-5-en-1-amine
CID 104986628
1-(2,4-dimethylphenyl)-2-ethyl-N-propylhexan-1-amine
CID 43495501
2-ethyl-1-(1-ethylpyrazol-4-yl)-N-propylhexan-1-amine
CID 115815634

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-ethyl-N-propylhexan-1-amine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-ethyl-N-propylhexan-1-amine (CID 43496970) is 1-(5-chlorothiophen-2-yl)-2-ethyl-N-propylhexan-1-amine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-ethyl-N-propylhexan-1-amine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-ethyl-N-propylhexan-1-amine is CCCCC(CC)C(NCCC)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-ethyl-N-propylhexan-1-amine?
The InChIKey is DMECBQZKXUKUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26ClNS/c1-4-7-8-12(6-3)15(17-11-5-2)13-9-10-14(16)18-13/h9-10,12,15,17H,4-8,11H2,1-3H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-ethyl-N-propylhexan-1-amine?
1-(5-chlorothiophen-2-yl)-2-ethyl-N-propylhexan-1-amine has a molecular weight of 287.90 g/mol, XLogP of 5.66, 9 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)-2-ethyl-N-propylhexan-1-amine is sourced from PubChem (CID 43496970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).