N-ethyl-1-(5-ethylthiophen-2-yl)-3-propoxypropan-2-amine

C14H25NOS — CID 55094003

IUPACN-ethyl-1-(5-ethylthiophen-2-yl)-3-propoxypropan-2-amine
SMILESCCCOCC(Cc1ccc(CC)s1)NCC
InChIInChI=1S/C14H25NOS/c1-4-9-16-11-12(15-6-3)10-14-8-7-13(5-2)17-14/h7-8,12,15H,4-6,9-11H2,1-3H3
InChIKeyOFPUHWCLKWFNDV-UHFFFAOYSA-N
MW255.43 g/mol
LogP3.26
Rot. Bonds9

About N-ethyl-1-(5-ethylthiophen-2-yl)-3-propoxypropan-2-amine

N-ethyl-1-(5-ethylthiophen-2-yl)-3-propoxypropan-2-amine (PubChem CID 55094003) has the molecular formula C14H25NOS and a molecular weight of 255.43 g/mol. Its IUPAC name is N-ethyl-1-(5-ethylthiophen-2-yl)-3-propoxypropan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(5-ethylthiophen-2-yl)-3-propoxypropan-2-amine
PubChem CID55094003
Molecular FormulaC14H25NOS
Molecular Weight255.43 g/mol
Exact Mass255.17
IUPAC NameN-ethyl-1-(5-ethylthiophen-2-yl)-3-propoxypropan-2-amine
SMILESCCCOCC(Cc1ccc(CC)s1)NCC
InChIInChI=1S/C14H25NOS/c1-4-9-16-11-12(15-6-3)10-14-8-7-13(5-2)17-14/h7-8,12,15H,4-6,9-11H2,1-3H3
InChIKeyOFPUHWCLKWFNDV-UHFFFAOYSA-N
XLogP3.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.43
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-1-(5-ethylthiophen-2-yl)-3-methoxypropan-2-amine
CID 62604111
N-ethyl-1-(5-ethylthiophen-2-yl)-4-methoxybutan-2-amine
CID 62602949
N-ethyl-1-(5-ethylthiophen-2-yl)-5-methoxypentan-2-amine
CID 65092166
N-ethyl-1-(5-ethylthiophen-2-yl)decan-2-amine
CID 115842720
[1-(5-ethylthiophen-2-yl)-4-propoxybutan-2-yl]hydrazine
CID 105296397
1-(4-bromothiophen-2-yl)-N-ethyl-3-propoxypropan-2-amine
CID 62604703
N-ethyl-1-propoxy-3-(1,3-thiazol-5-yl)propan-2-amine
CID 112642914
N-ethyl-1-(5-ethylthiophen-2-yl)-3-propan-2-ylsulfanylpropan-2-amine
CID 65132130
N-ethyl-1-ethylsulfanyl-3-(5-ethylthiophen-2-yl)propan-2-amine
CID 65127910
1-(5-chlorothiophen-2-yl)-N-methyl-3-propoxypropan-2-amine
CID 62604517
4-(2,2-difluoroethoxy)-1-(5-ethylthiophen-2-yl)-N-methylbutan-2-amine
CID 103149430
N-ethyl-1-propoxy-4-thiophen-2-ylbutan-2-amine
CID 63775940

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(5-ethylthiophen-2-yl)-3-propoxypropan-2-amine?
The IUPAC name of N-ethyl-1-(5-ethylthiophen-2-yl)-3-propoxypropan-2-amine (CID 55094003) is N-ethyl-1-(5-ethylthiophen-2-yl)-3-propoxypropan-2-amine.
What is the SMILES notation for N-ethyl-1-(5-ethylthiophen-2-yl)-3-propoxypropan-2-amine?
The canonical SMILES for N-ethyl-1-(5-ethylthiophen-2-yl)-3-propoxypropan-2-amine is CCCOCC(Cc1ccc(CC)s1)NCC.
What is the InChIKey of N-ethyl-1-(5-ethylthiophen-2-yl)-3-propoxypropan-2-amine?
The InChIKey is OFPUHWCLKWFNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NOS/c1-4-9-16-11-12(15-6-3)10-14-8-7-13(5-2)17-14/h7-8,12,15H,4-6,9-11H2,1-3H3.
What are the key properties of N-ethyl-1-(5-ethylthiophen-2-yl)-3-propoxypropan-2-amine?
N-ethyl-1-(5-ethylthiophen-2-yl)-3-propoxypropan-2-amine has a molecular weight of 255.43 g/mol, XLogP of 3.26, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(5-ethylthiophen-2-yl)-3-propoxypropan-2-amine is sourced from PubChem (CID 55094003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).