N-(1-cyclopropyl-2-methoxyethyl)-2-thiophen-2-ylpropan-1-amine

C13H21NOS — CID 115722150

IUPACN-(1-cyclopropyl-2-methoxyethyl)-2-thiophen-2-ylpropan-1-amine
SMILESCOCC(NCC(C)c1cccs1)C1CC1
InChIInChI=1S/C13H21NOS/c1-10(13-4-3-7-16-13)8-14-12(9-15-2)11-5-6-11/h3-4,7,10-12,14H,5-6,8-9H2,1-2H3
InChIKeyYHSAQBRLIDKGFY-UHFFFAOYSA-N
MW239.38 g/mol
LogP2.87
Rot. Bonds7

About N-(1-cyclopropyl-2-methoxyethyl)-2-thiophen-2-ylpropan-1-amine

N-(1-cyclopropyl-2-methoxyethyl)-2-thiophen-2-ylpropan-1-amine (PubChem CID 115722150) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is N-(1-cyclopropyl-2-methoxyethyl)-2-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-(1-cyclopropyl-2-methoxyethyl)-2-thiophen-2-ylpropan-1-amine
PubChem CID115722150
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC NameN-(1-cyclopropyl-2-methoxyethyl)-2-thiophen-2-ylpropan-1-amine
SMILESCOCC(NCC(C)c1cccs1)C1CC1
InChIInChI=1S/C13H21NOS/c1-10(13-4-3-7-16-13)8-14-12(9-15-2)11-5-6-11/h3-4,7,10-12,14H,5-6,8-9H2,1-2H3
InChIKeyYHSAQBRLIDKGFY-UHFFFAOYSA-N
XLogP2.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyclopentylethyl)-2-thiophen-2-ylpropan-1-amine
CID 115722143
4-methoxy-N-(2-thiophen-2-ylpropyl)butan-2-amine
CID 115722142
N-(2-thiophen-2-ylpropyl)butan-2-amine
CID 115722128
4-[[cyclopropyl(thiophen-2-yl)methyl]amino]-1-methoxybutan-2-ol
CID 103911516
N-(2-thiophen-2-ylpropyl)thiolan-3-amine
CID 115722114
1-cyclopropyl-2-methoxy-N-[2-(3-methylthiophen-2-yl)ethyl]ethanamine
CID 115898820
N-(1-cyclopropyl-2-methoxyethyl)-2-ethylbutan-1-amine
CID 115718062
N-[cyclopropyl(thiophen-2-yl)methyl]-3-(2-methylpropoxy)propan-1-amine
CID 54982977
1-cyclopropyl-2-methoxy-N-[(5-methoxythiophen-2-yl)methyl]ethanamine
CID 115752878
N-[cyclopropyl(thiophen-2-yl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104584966
1-methoxy-N-[(1S)-1-thiophen-2-ylethyl]propan-2-amine
CID 81399226
1-propan-2-yl-N-(2-thiophen-2-ylpropyl)piperidin-4-amine
CID 75428213

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropyl-2-methoxyethyl)-2-thiophen-2-ylpropan-1-amine?
The IUPAC name of N-(1-cyclopropyl-2-methoxyethyl)-2-thiophen-2-ylpropan-1-amine (CID 115722150) is N-(1-cyclopropyl-2-methoxyethyl)-2-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for N-(1-cyclopropyl-2-methoxyethyl)-2-thiophen-2-ylpropan-1-amine?
The canonical SMILES for N-(1-cyclopropyl-2-methoxyethyl)-2-thiophen-2-ylpropan-1-amine is COCC(NCC(C)c1cccs1)C1CC1.
What is the InChIKey of N-(1-cyclopropyl-2-methoxyethyl)-2-thiophen-2-ylpropan-1-amine?
The InChIKey is YHSAQBRLIDKGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-10(13-4-3-7-16-13)8-14-12(9-15-2)11-5-6-11/h3-4,7,10-12,14H,5-6,8-9H2,1-2H3.
What are the key properties of N-(1-cyclopropyl-2-methoxyethyl)-2-thiophen-2-ylpropan-1-amine?
N-(1-cyclopropyl-2-methoxyethyl)-2-thiophen-2-ylpropan-1-amine has a molecular weight of 239.38 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropyl-2-methoxyethyl)-2-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 115722150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).