N-[1-(1-methylcyclopropyl)ethyl]-1-thiophen-3-ylpropan-2-amine

C13H21NS — CID 61473217

IUPACN-[1-(1-methylcyclopropyl)ethyl]-1-thiophen-3-ylpropan-2-amine
SMILESCC(Cc1ccsc1)NC(C)C1(C)CC1
InChIInChI=1S/C13H21NS/c1-10(8-12-4-7-15-9-12)14-11(2)13(3)5-6-13/h4,7,9-11,14H,5-6,8H2,1-3H3
InChIKeyJMVJRFALSUZCBC-UHFFFAOYSA-N
MW223.38 g/mol
LogP3.46
Rot. Bonds5

About N-[1-(1-methylcyclopropyl)ethyl]-1-thiophen-3-ylpropan-2-amine

N-[1-(1-methylcyclopropyl)ethyl]-1-thiophen-3-ylpropan-2-amine (PubChem CID 61473217) has the molecular formula C13H21NS and a molecular weight of 223.38 g/mol. Its IUPAC name is N-[1-(1-methylcyclopropyl)ethyl]-1-thiophen-3-ylpropan-2-amine.

Molecular Properties

Compound NameN-[1-(1-methylcyclopropyl)ethyl]-1-thiophen-3-ylpropan-2-amine
PubChem CID61473217
Molecular FormulaC13H21NS
Molecular Weight223.38 g/mol
Exact Mass223.14
IUPAC NameN-[1-(1-methylcyclopropyl)ethyl]-1-thiophen-3-ylpropan-2-amine
SMILESCC(Cc1ccsc1)NC(C)C1(C)CC1
InChIInChI=1S/C13H21NS/c1-10(8-12-4-7-15-9-12)14-11(2)13(3)5-6-13/h4,7,9-11,14H,5-6,8H2,1-3H3
InChIKeyJMVJRFALSUZCBC-UHFFFAOYSA-N
XLogP3.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.38
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-N-(1-thiophen-3-ylpropan-2-yl)cyclopentan-1-amine
CID 115916005
1-(4-fluorophenyl)-N-[1-(1-methylcyclopropyl)ethyl]propan-2-amine
CID 62995406
2-(1-thiophen-3-ylpropan-2-ylamino)propan-1-ol
CID 115724718
2-(1-thiophen-3-ylpropan-2-ylamino)propane-1,3-diol
CID 115724134
3-methyl-N-(1-thiophen-3-ylpropan-2-yl)oxolan-3-amine
CID 115922577
N-(1-thiophen-3-ylpropan-2-yl)heptan-2-amine
CID 61473529
1-cyclopropyl-N-(1-thiophen-3-ylpropan-2-yl)butan-1-amine
CID 115769840
N-[(2-methyloxolan-2-yl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 115727592
1-[(1-thiophen-3-ylpropan-2-ylamino)methyl]cyclohexan-1-ol
CID 54952846
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-thiophen-3-ylpropan-2-amine
CID 54953076
N-(1-pyridin-4-ylethyl)-1-thiophen-3-ylpropan-2-amine
CID 54952734
[1-(1-methylcyclohexyl)-2-thiophen-3-ylethyl]hydrazine
CID 106831167

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylcyclopropyl)ethyl]-1-thiophen-3-ylpropan-2-amine?
The IUPAC name of N-[1-(1-methylcyclopropyl)ethyl]-1-thiophen-3-ylpropan-2-amine (CID 61473217) is N-[1-(1-methylcyclopropyl)ethyl]-1-thiophen-3-ylpropan-2-amine.
What is the SMILES notation for N-[1-(1-methylcyclopropyl)ethyl]-1-thiophen-3-ylpropan-2-amine?
The canonical SMILES for N-[1-(1-methylcyclopropyl)ethyl]-1-thiophen-3-ylpropan-2-amine is CC(Cc1ccsc1)NC(C)C1(C)CC1.
What is the InChIKey of N-[1-(1-methylcyclopropyl)ethyl]-1-thiophen-3-ylpropan-2-amine?
The InChIKey is JMVJRFALSUZCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS/c1-10(8-12-4-7-15-9-12)14-11(2)13(3)5-6-13/h4,7,9-11,14H,5-6,8H2,1-3H3.
What are the key properties of N-[1-(1-methylcyclopropyl)ethyl]-1-thiophen-3-ylpropan-2-amine?
N-[1-(1-methylcyclopropyl)ethyl]-1-thiophen-3-ylpropan-2-amine has a molecular weight of 223.38 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylcyclopropyl)ethyl]-1-thiophen-3-ylpropan-2-amine is sourced from PubChem (CID 61473217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).