N-[[2-(5-ethylthiophen-2-yl)oxan-3-yl]methyl]cyclopropanamine

C15H23NOS — CID 79365839

IUPACN-[[2-(5-ethylthiophen-2-yl)oxan-3-yl]methyl]cyclopropanamine
SMILESCCc1ccc(C2OCCCC2CNC2CC2)s1
InChIInChI=1S/C15H23NOS/c1-2-13-7-8-14(18-13)15-11(4-3-9-17-15)10-16-12-5-6-12/h7-8,11-12,15-16H,2-6,9-10H2,1H3
InChIKeyRKYZVZPCXWIXLI-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.53
Rot. Bonds5

About N-[[2-(5-ethylthiophen-2-yl)oxan-3-yl]methyl]cyclopropanamine

N-[[2-(5-ethylthiophen-2-yl)oxan-3-yl]methyl]cyclopropanamine (PubChem CID 79365839) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is N-[[2-(5-ethylthiophen-2-yl)oxan-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(5-ethylthiophen-2-yl)oxan-3-yl]methyl]cyclopropanamine
PubChem CID79365839
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC NameN-[[2-(5-ethylthiophen-2-yl)oxan-3-yl]methyl]cyclopropanamine
SMILESCCc1ccc(C2OCCCC2CNC2CC2)s1
InChIInChI=1S/C15H23NOS/c1-2-13-7-8-14(18-13)15-11(4-3-9-17-15)10-16-12-5-6-12/h7-8,11-12,15-16H,2-6,9-10H2,1H3
InChIKeyRKYZVZPCXWIXLI-UHFFFAOYSA-N
XLogP3.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(5-ethylthiophen-2-yl)oxan-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(5-ethylthiophen-2-yl)oxan-3-yl]methyl]cyclopropanamine (CID 79365839) is N-[[2-(5-ethylthiophen-2-yl)oxan-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(5-ethylthiophen-2-yl)oxan-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(5-ethylthiophen-2-yl)oxan-3-yl]methyl]cyclopropanamine is CCc1ccc(C2OCCCC2CNC2CC2)s1.
What is the InChIKey of N-[[2-(5-ethylthiophen-2-yl)oxan-3-yl]methyl]cyclopropanamine?
The InChIKey is RKYZVZPCXWIXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-2-13-7-8-14(18-13)15-11(4-3-9-17-15)10-16-12-5-6-12/h7-8,11-12,15-16H,2-6,9-10H2,1H3.
What are the key properties of N-[[2-(5-ethylthiophen-2-yl)oxan-3-yl]methyl]cyclopropanamine?
N-[[2-(5-ethylthiophen-2-yl)oxan-3-yl]methyl]cyclopropanamine has a molecular weight of 265.42 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(5-ethylthiophen-2-yl)oxan-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 79365839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).