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

C16H29NS — CID 43494115

IUPAC2-ethyl-1-(5-methylthiophen-2-yl)-N-propylhexan-1-amine
SMILESCCCCC(CC)C(NCCC)c1ccc(C)s1
InChIInChI=1S/C16H29NS/c1-5-8-9-14(7-3)16(17-12-6-2)15-11-10-13(4)18-15/h10-11,14,16-17H,5-9,12H2,1-4H3
InChIKeyCQKWBGBNWREHEX-UHFFFAOYSA-N
MW267.48 g/mol
LogP5.31
Rot. Bonds9

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

2-ethyl-1-(5-methylthiophen-2-yl)-N-propylhexan-1-amine (PubChem CID 43494115) has the molecular formula C16H29NS and a molecular weight of 267.48 g/mol. Its IUPAC name is 2-ethyl-1-(5-methylthiophen-2-yl)-N-propylhexan-1-amine.

Molecular Properties

Compound Name2-ethyl-1-(5-methylthiophen-2-yl)-N-propylhexan-1-amine
PubChem CID43494115
Molecular FormulaC16H29NS
Molecular Weight267.48 g/mol
Exact Mass267.20
IUPAC Name2-ethyl-1-(5-methylthiophen-2-yl)-N-propylhexan-1-amine
SMILESCCCCC(CC)C(NCCC)c1ccc(C)s1
InChIInChI=1S/C16H29NS/c1-5-8-9-14(7-3)16(17-12-6-2)15-11-10-13(4)18-15/h10-11,14,16-17H,5-9,12H2,1-4H3
InChIKeyCQKWBGBNWREHEX-UHFFFAOYSA-N
XLogP5.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.48
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chlorothiophen-2-yl)-2-ethyl-N-propylhexan-1-amine
CID 43496970
2-cyclopropyl-1-(5-methylthiophen-2-yl)-N-propylpropan-1-amine
CID 83154582
1-(2,3-dimethylphenyl)-2-ethyl-N-propylhexan-1-amine
CID 115850316
1-(2,4-dimethylphenyl)-2-ethyl-N-propylhexan-1-amine
CID 43495501
2-ethyl-1-(5-ethylthiophen-2-yl)-N-methylhexan-1-amine
CID 43480735
N-methyl-1-(5-methylthiophen-2-yl)pentan-1-amine
CID 43480384
1-(5-chlorothiophen-2-yl)-N,2-dipropylpentan-1-amine
CID 82984586
2-ethyl-1-(1-ethylpyrazol-4-yl)-N-propylhexan-1-amine
CID 115815634
N-[1-(5-methylthiophen-2-yl)ethyl]hexan-1-amine
CID 43109777
N-[1-(5-methylthiophen-2-yl)ethyl]nonan-1-amine
CID 63490848
N-[1-(5-methylthiophen-2-yl)ethyl]heptan-1-amine
CID 63455494
2-ethyl-N-propyl-1-(3-propylphenyl)hexan-1-amine
CID 105050261

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(5-methylthiophen-2-yl)-N-propylhexan-1-amine?
The IUPAC name of 2-ethyl-1-(5-methylthiophen-2-yl)-N-propylhexan-1-amine (CID 43494115) is 2-ethyl-1-(5-methylthiophen-2-yl)-N-propylhexan-1-amine.
What is the SMILES notation for 2-ethyl-1-(5-methylthiophen-2-yl)-N-propylhexan-1-amine?
The canonical SMILES for 2-ethyl-1-(5-methylthiophen-2-yl)-N-propylhexan-1-amine is CCCCC(CC)C(NCCC)c1ccc(C)s1.
What is the InChIKey of 2-ethyl-1-(5-methylthiophen-2-yl)-N-propylhexan-1-amine?
The InChIKey is CQKWBGBNWREHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NS/c1-5-8-9-14(7-3)16(17-12-6-2)15-11-10-13(4)18-15/h10-11,14,16-17H,5-9,12H2,1-4H3.
What are the key properties of 2-ethyl-1-(5-methylthiophen-2-yl)-N-propylhexan-1-amine?
2-ethyl-1-(5-methylthiophen-2-yl)-N-propylhexan-1-amine has a molecular weight of 267.48 g/mol, XLogP of 5.31, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(5-methylthiophen-2-yl)-N-propylhexan-1-amine is sourced from PubChem (CID 43494115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).