1-(2,5-dimethylthiophen-3-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]ethanamine

C15H25NOS — CID 113348990

IUPAC1-(2,5-dimethylthiophen-3-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]ethanamine
SMILESCOCCC1(CNC(C)c2cc(C)sc2C)CC1
InChIInChI=1S/C15H25NOS/c1-11-9-14(13(3)18-11)12(2)16-10-15(5-6-15)7-8-17-4/h9,12,16H,5-8,10H2,1-4H3
InChIKeyPBEYRIRAQGZJQJ-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.83
Rot. Bonds7

About 1-(2,5-dimethylthiophen-3-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]ethanamine

1-(2,5-dimethylthiophen-3-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]ethanamine (PubChem CID 113348990) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is 1-(2,5-dimethylthiophen-3-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]ethanamine.

Molecular Properties

Compound Name1-(2,5-dimethylthiophen-3-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]ethanamine
PubChem CID113348990
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC Name1-(2,5-dimethylthiophen-3-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]ethanamine
SMILESCOCCC1(CNC(C)c2cc(C)sc2C)CC1
InChIInChI=1S/C15H25NOS/c1-11-9-14(13(3)18-11)12(2)16-10-15(5-6-15)7-8-17-4/h9,12,16H,5-8,10H2,1-4H3
InChIKeyPBEYRIRAQGZJQJ-UHFFFAOYSA-N
XLogP3.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-(2,4,5-trimethylphenyl)ethanamine
CID 103903901
1-(2,5-dimethylthiophen-3-yl)-N-(2-methoxyethyl)ethanamine
CID 43200659
2-[1-[[1-(2-methoxyethyl)cyclopropyl]methylamino]ethyl]-5-methylphenol
CID 104583457
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-(2,4,6-trimethylphenyl)ethanamine
CID 103903840
1-[[1-(2,5-dimethylthiophen-3-yl)ethylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 81300272
1-[[1-(2,5-dimethylthiophen-3-yl)ethylamino]methyl]cyclohexan-1-ol
CID 54965220
5-methoxy-2-[1-[[1-(2-methoxyethyl)cyclopropyl]methylamino]ethyl]phenol
CID 104583453
1-(1-benzothiophen-2-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]ethanamine
CID 102613050
3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-N-(2-methoxyethyl)propanamide
CID 112700220
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propan-1-amine
CID 43200455
4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-1-methoxybutan-2-ol
CID 103906007
1-(3-fluorophenyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]ethanamine
CID 103904006

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]ethanamine?
The IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]ethanamine (CID 113348990) is 1-(2,5-dimethylthiophen-3-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]ethanamine.
What is the SMILES notation for 1-(2,5-dimethylthiophen-3-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]ethanamine?
The canonical SMILES for 1-(2,5-dimethylthiophen-3-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]ethanamine is COCCC1(CNC(C)c2cc(C)sc2C)CC1.
What is the InChIKey of 1-(2,5-dimethylthiophen-3-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]ethanamine?
The InChIKey is PBEYRIRAQGZJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOS/c1-11-9-14(13(3)18-11)12(2)16-10-15(5-6-15)7-8-17-4/h9,12,16H,5-8,10H2,1-4H3.
What are the key properties of 1-(2,5-dimethylthiophen-3-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]ethanamine?
1-(2,5-dimethylthiophen-3-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]ethanamine has a molecular weight of 267.44 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylthiophen-3-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]ethanamine is sourced from PubChem (CID 113348990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).