N-[[5-(prop-2-enoxymethyl)thiophen-2-yl]methyl]cyclopropanamine

C12H17NOS — CID 107557963

IUPACN-[[5-(prop-2-enoxymethyl)thiophen-2-yl]methyl]cyclopropanamine
SMILESC=CCOCc1ccc(CNC2CC2)s1
InChIInChI=1S/C12H17NOS/c1-2-7-14-9-12-6-5-11(15-12)8-13-10-3-4-10/h2,5-6,10,13H,1,3-4,7-9H2
InChIKeyLHSJQVDMDBWLEI-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.70
Rot. Bonds7

About N-[[5-(prop-2-enoxymethyl)thiophen-2-yl]methyl]cyclopropanamine

N-[[5-(prop-2-enoxymethyl)thiophen-2-yl]methyl]cyclopropanamine (PubChem CID 107557963) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is N-[[5-(prop-2-enoxymethyl)thiophen-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(prop-2-enoxymethyl)thiophen-2-yl]methyl]cyclopropanamine
PubChem CID107557963
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC NameN-[[5-(prop-2-enoxymethyl)thiophen-2-yl]methyl]cyclopropanamine
SMILESC=CCOCc1ccc(CNC2CC2)s1
InChIInChI=1S/C12H17NOS/c1-2-7-14-9-12-6-5-11(15-12)8-13-10-3-4-10/h2,5-6,10,13H,1,3-4,7-9H2
InChIKeyLHSJQVDMDBWLEI-UHFFFAOYSA-N
XLogP2.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[5-(prop-2-enoxymethyl)thiophen-2-yl]methyl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[5-(butoxymethyl)thiophen-2-yl]methyl]cyclopropanamine
CID 107558277
N-[[5-(thiophen-2-ylmethoxymethyl)thiophen-2-yl]methyl]cyclopropanamine
CID 107558820
N-[[3-(prop-2-enoxymethyl)phenyl]methyl]cyclopropanamine
CID 62442455
N-[[5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]thiophen-2-yl]methyl]cyclopropanamine
CID 107559240
N-[[5-(3-phenylpropoxymethyl)thiophen-2-yl]methyl]cyclopropanamine
CID 107558814
2-methyl-N-[[5-(prop-2-enoxymethyl)thiophen-2-yl]methyl]propan-1-amine
CID 107557958
N-[[5-(butan-2-yloxymethyl)thiophen-2-yl]methyl]cyclopropanamine
CID 107558549
N-[[5-[(3,5-dimethylcyclohexyl)oxymethyl]thiophen-2-yl]methyl]cyclopropanamine
CID 107558997
N-[[5-[(4,4-dimethylcyclohexyl)oxymethyl]thiophen-2-yl]methyl]cyclopropanamine
CID 107559313
N-[[5-[[2-methoxyethyl(prop-2-enyl)amino]methyl]thiophen-2-yl]methyl]cyclopropanamine
CID 107557635
N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine;hydrochloride
CID 17294982
N-[4-[5-[(cyclopropylamino)methyl]thiophen-2-yl]butyl]cyclopropanamine
CID 107557088

Frequently Asked Questions

What is the IUPAC name of N-[[5-(prop-2-enoxymethyl)thiophen-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(prop-2-enoxymethyl)thiophen-2-yl]methyl]cyclopropanamine (CID 107557963) is N-[[5-(prop-2-enoxymethyl)thiophen-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(prop-2-enoxymethyl)thiophen-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(prop-2-enoxymethyl)thiophen-2-yl]methyl]cyclopropanamine is C=CCOCc1ccc(CNC2CC2)s1.
What is the InChIKey of N-[[5-(prop-2-enoxymethyl)thiophen-2-yl]methyl]cyclopropanamine?
The InChIKey is LHSJQVDMDBWLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-2-7-14-9-12-6-5-11(15-12)8-13-10-3-4-10/h2,5-6,10,13H,1,3-4,7-9H2.
What are the key properties of N-[[5-(prop-2-enoxymethyl)thiophen-2-yl]methyl]cyclopropanamine?
N-[[5-(prop-2-enoxymethyl)thiophen-2-yl]methyl]cyclopropanamine has a molecular weight of 223.34 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(prop-2-enoxymethyl)thiophen-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 107557963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).