N-[[5-[[2-methoxyethyl(prop-2-enyl)amino]methyl]thiophen-2-yl]methyl]cyclopropanamine

C15H24N2OS — CID 107557635

IUPACN-[[5-[[2-methoxyethyl(prop-2-enyl)amino]methyl]thiophen-2-yl]methyl]cyclopropanamine
SMILESC=CCN(CCOC)Cc1ccc(CNC2CC2)s1
InChIInChI=1S/C15H24N2OS/c1-3-8-17(9-10-18-2)12-15-7-6-14(19-15)11-16-13-4-5-13/h3,6-7,13,16H,1,4-5,8-12H2,2H3
InChIKeyQHBALHWIQKDBAL-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.63
Rot. Bonds10

About N-[[5-[[2-methoxyethyl(prop-2-enyl)amino]methyl]thiophen-2-yl]methyl]cyclopropanamine

N-[[5-[[2-methoxyethyl(prop-2-enyl)amino]methyl]thiophen-2-yl]methyl]cyclopropanamine (PubChem CID 107557635) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is N-[[5-[[2-methoxyethyl(prop-2-enyl)amino]methyl]thiophen-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-[[2-methoxyethyl(prop-2-enyl)amino]methyl]thiophen-2-yl]methyl]cyclopropanamine
PubChem CID107557635
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC NameN-[[5-[[2-methoxyethyl(prop-2-enyl)amino]methyl]thiophen-2-yl]methyl]cyclopropanamine
SMILESC=CCN(CCOC)Cc1ccc(CNC2CC2)s1
InChIInChI=1S/C15H24N2OS/c1-3-8-17(9-10-18-2)12-15-7-6-14(19-15)11-16-13-4-5-13/h3,6-7,13,16H,1,4-5,8-12H2,2H3
InChIKeyQHBALHWIQKDBAL-UHFFFAOYSA-N
XLogP2.63
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[[2-methoxyethyl(prop-2-enyl)amino]methyl]thiophen-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-[[2-methoxyethyl(prop-2-enyl)amino]methyl]thiophen-2-yl]methyl]cyclopropanamine (CID 107557635) is N-[[5-[[2-methoxyethyl(prop-2-enyl)amino]methyl]thiophen-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-[[2-methoxyethyl(prop-2-enyl)amino]methyl]thiophen-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-[[2-methoxyethyl(prop-2-enyl)amino]methyl]thiophen-2-yl]methyl]cyclopropanamine is C=CCN(CCOC)Cc1ccc(CNC2CC2)s1.
What is the InChIKey of N-[[5-[[2-methoxyethyl(prop-2-enyl)amino]methyl]thiophen-2-yl]methyl]cyclopropanamine?
The InChIKey is QHBALHWIQKDBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-3-8-17(9-10-18-2)12-15-7-6-14(19-15)11-16-13-4-5-13/h3,6-7,13,16H,1,4-5,8-12H2,2H3.
What are the key properties of N-[[5-[[2-methoxyethyl(prop-2-enyl)amino]methyl]thiophen-2-yl]methyl]cyclopropanamine?
N-[[5-[[2-methoxyethyl(prop-2-enyl)amino]methyl]thiophen-2-yl]methyl]cyclopropanamine has a molecular weight of 280.44 g/mol, XLogP of 2.63, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[2-methoxyethyl(prop-2-enyl)amino]methyl]thiophen-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 107557635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).