4-ethoxy-N-ethyl-5,5-dimethyl-1-thiophen-2-ylhexan-3-amine

C16H29NOS — CID 116725711

IUPAC4-ethoxy-N-ethyl-5,5-dimethyl-1-thiophen-2-ylhexan-3-amine
SMILESCCNC(CCc1cccs1)C(OCC)C(C)(C)C
InChIInChI=1S/C16H29NOS/c1-6-17-14(11-10-13-9-8-12-19-13)15(18-7-2)16(3,4)5/h8-9,12,14-15,17H,6-7,10-11H2,1-5H3
InChIKeyYEKKBHQJTIAWRV-UHFFFAOYSA-N
MW283.48 g/mol
LogP4.11
Rot. Bonds8

About 4-ethoxy-N-ethyl-5,5-dimethyl-1-thiophen-2-ylhexan-3-amine

4-ethoxy-N-ethyl-5,5-dimethyl-1-thiophen-2-ylhexan-3-amine (PubChem CID 116725711) has the molecular formula C16H29NOS and a molecular weight of 283.48 g/mol. Its IUPAC name is 4-ethoxy-N-ethyl-5,5-dimethyl-1-thiophen-2-ylhexan-3-amine.

Molecular Properties

Compound Name4-ethoxy-N-ethyl-5,5-dimethyl-1-thiophen-2-ylhexan-3-amine
PubChem CID116725711
Molecular FormulaC16H29NOS
Molecular Weight283.48 g/mol
Exact Mass283.20
IUPAC Name4-ethoxy-N-ethyl-5,5-dimethyl-1-thiophen-2-ylhexan-3-amine
SMILESCCNC(CCc1cccs1)C(OCC)C(C)(C)C
InChIInChI=1S/C16H29NOS/c1-6-17-14(11-10-13-9-8-12-19-13)15(18-7-2)16(3,4)5/h8-9,12,14-15,17H,6-7,10-11H2,1-5H3
InChIKeyYEKKBHQJTIAWRV-UHFFFAOYSA-N
XLogP4.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.48
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethoxy-N-ethyl-5,5-dimethyl-1-phenylhexan-3-amine
CID 116725722
4-ethoxy-N-ethyl-5,5-dimethylhexan-3-amine
CID 116725718
(1-cyclopropyl-1-ethoxy-4-thiophen-2-ylbutan-2-yl)hydrazine
CID 105273036
N-ethyl-6,6,6-trifluoro-1-thiophen-2-ylhexan-3-amine
CID 79952596
2-ethoxy-3,3-dimethyl-1-thiophen-2-ylbutan-1-ol
CID 116713377
3-ethoxy-N-ethyl-2,2-dimethyloct-7-yn-4-amine
CID 116725818
1,1-dimethoxy-N-propyl-4-thiophen-2-ylbutan-2-amine
CID 79493483
N-ethyl-1-propoxy-4-thiophen-2-ylbutan-2-amine
CID 63775940
4-(3-chlorophenoxy)-N-ethyl-1-thiophen-2-ylpentan-3-amine
CID 105150171
(2-methyl-6-thiophen-2-ylhexan-3-yl)hydrazine
CID 105281740
N-ethyl-5-methyl-1-thiophen-2-ylheptan-3-amine
CID 115860879
2-methyl-N-propyl-6-thiophen-2-ylhexan-3-amine
CID 63775526

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-ethyl-5,5-dimethyl-1-thiophen-2-ylhexan-3-amine?
The IUPAC name of 4-ethoxy-N-ethyl-5,5-dimethyl-1-thiophen-2-ylhexan-3-amine (CID 116725711) is 4-ethoxy-N-ethyl-5,5-dimethyl-1-thiophen-2-ylhexan-3-amine.
What is the SMILES notation for 4-ethoxy-N-ethyl-5,5-dimethyl-1-thiophen-2-ylhexan-3-amine?
The canonical SMILES for 4-ethoxy-N-ethyl-5,5-dimethyl-1-thiophen-2-ylhexan-3-amine is CCNC(CCc1cccs1)C(OCC)C(C)(C)C.
What is the InChIKey of 4-ethoxy-N-ethyl-5,5-dimethyl-1-thiophen-2-ylhexan-3-amine?
The InChIKey is YEKKBHQJTIAWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NOS/c1-6-17-14(11-10-13-9-8-12-19-13)15(18-7-2)16(3,4)5/h8-9,12,14-15,17H,6-7,10-11H2,1-5H3.
What are the key properties of 4-ethoxy-N-ethyl-5,5-dimethyl-1-thiophen-2-ylhexan-3-amine?
4-ethoxy-N-ethyl-5,5-dimethyl-1-thiophen-2-ylhexan-3-amine has a molecular weight of 283.48 g/mol, XLogP of 4.11, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-ethyl-5,5-dimethyl-1-thiophen-2-ylhexan-3-amine is sourced from PubChem (CID 116725711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).