N-[[5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]thiophen-2-yl]methyl]cyclopropanamine

C15H25NO2S — CID 107559240

IUPACN-[[5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]thiophen-2-yl]methyl]cyclopropanamine
SMILESCC(C)(C)OCCOCc1ccc(CNC2CC2)s1
InChIInChI=1S/C15H25NO2S/c1-15(2,3)18-9-8-17-11-14-7-6-13(19-14)10-16-12-4-5-12/h6-7,12,16H,4-5,8-11H2,1-3H3
InChIKeyAFCJZTIICXWCLN-UHFFFAOYSA-N
MW283.44 g/mol
LogP3.33
Rot. Bonds8

About N-[[5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]thiophen-2-yl]methyl]cyclopropanamine

N-[[5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]thiophen-2-yl]methyl]cyclopropanamine (PubChem CID 107559240) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is N-[[5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]thiophen-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]thiophen-2-yl]methyl]cyclopropanamine
PubChem CID107559240
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC NameN-[[5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]thiophen-2-yl]methyl]cyclopropanamine
SMILESCC(C)(C)OCCOCc1ccc(CNC2CC2)s1
InChIInChI=1S/C15H25NO2S/c1-15(2,3)18-9-8-17-11-14-7-6-13(19-14)10-16-12-4-5-12/h6-7,12,16H,4-5,8-11H2,1-3H3
InChIKeyAFCJZTIICXWCLN-UHFFFAOYSA-N
XLogP3.33
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-(butoxymethyl)thiophen-2-yl]methyl]cyclopropanamine
CID 107558277
N-methyl-1-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]thiophen-2-yl]methanamine
CID 107559237
N-[[5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]furan-3-yl]methyl]cyclopropanamine
CID 112589813
N-[[6-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]-2-pyridinyl]methyl]cyclopropanamine
CID 106908631
N-[[5-(3-phenylpropoxymethyl)thiophen-2-yl]methyl]cyclopropanamine
CID 107558814
N-[[5-(prop-2-enoxymethyl)thiophen-2-yl]methyl]cyclopropanamine
CID 107557963
N-[[5-(thiophen-2-ylmethoxymethyl)thiophen-2-yl]methyl]cyclopropanamine
CID 107558820
2-bromo-5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]thiophene
CID 112588661
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-methyl-1-[5-[(2-methylpropan-2-yl)oxymethyl]thiophen-2-yl]methanamine
CID 107558169

Frequently Asked Questions

What is the IUPAC name of N-[[5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]thiophen-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]thiophen-2-yl]methyl]cyclopropanamine (CID 107559240) is N-[[5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]thiophen-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]thiophen-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]thiophen-2-yl]methyl]cyclopropanamine is CC(C)(C)OCCOCc1ccc(CNC2CC2)s1.
What is the InChIKey of N-[[5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]thiophen-2-yl]methyl]cyclopropanamine?
The InChIKey is AFCJZTIICXWCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-15(2,3)18-9-8-17-11-14-7-6-13(19-14)10-16-12-4-5-12/h6-7,12,16H,4-5,8-11H2,1-3H3.
What are the key properties of N-[[5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]thiophen-2-yl]methyl]cyclopropanamine?
N-[[5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]thiophen-2-yl]methyl]cyclopropanamine has a molecular weight of 283.44 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]thiophen-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 107559240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).