N-[[3-(5-ethylfuran-2-yl)-2,2-dimethylcyclopropyl]methyl]propan-2-amine

C15H25NO — CID 114229647

IUPACN-[[3-(5-ethylfuran-2-yl)-2,2-dimethylcyclopropyl]methyl]propan-2-amine
SMILESCCc1ccc(C2C(CNC(C)C)C2(C)C)o1
InChIInChI=1S/C15H25NO/c1-6-11-7-8-13(17-11)14-12(15(14,4)5)9-16-10(2)3/h7-8,10,12,14,16H,6,9H2,1-5H3
InChIKeyJBRSNWFYDBYUPP-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.58
Rot. Bonds5

About N-[[3-(5-ethylfuran-2-yl)-2,2-dimethylcyclopropyl]methyl]propan-2-amine

N-[[3-(5-ethylfuran-2-yl)-2,2-dimethylcyclopropyl]methyl]propan-2-amine (PubChem CID 114229647) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-[[3-(5-ethylfuran-2-yl)-2,2-dimethylcyclopropyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-(5-ethylfuran-2-yl)-2,2-dimethylcyclopropyl]methyl]propan-2-amine
PubChem CID114229647
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-[[3-(5-ethylfuran-2-yl)-2,2-dimethylcyclopropyl]methyl]propan-2-amine
SMILESCCc1ccc(C2C(CNC(C)C)C2(C)C)o1
InChIInChI=1S/C15H25NO/c1-6-11-7-8-13(17-11)14-12(15(14,4)5)9-16-10(2)3/h7-8,10,12,14,16H,6,9H2,1-5H3
InChIKeyJBRSNWFYDBYUPP-UHFFFAOYSA-N
XLogP3.58
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(5-ethylfuran-2-yl)-2,2-dimethylcyclopropyl]methyl]propan-2-amine?
The IUPAC name of N-[[3-(5-ethylfuran-2-yl)-2,2-dimethylcyclopropyl]methyl]propan-2-amine (CID 114229647) is N-[[3-(5-ethylfuran-2-yl)-2,2-dimethylcyclopropyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-(5-ethylfuran-2-yl)-2,2-dimethylcyclopropyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-(5-ethylfuran-2-yl)-2,2-dimethylcyclopropyl]methyl]propan-2-amine is CCc1ccc(C2C(CNC(C)C)C2(C)C)o1.
What is the InChIKey of N-[[3-(5-ethylfuran-2-yl)-2,2-dimethylcyclopropyl]methyl]propan-2-amine?
The InChIKey is JBRSNWFYDBYUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-6-11-7-8-13(17-11)14-12(15(14,4)5)9-16-10(2)3/h7-8,10,12,14,16H,6,9H2,1-5H3.
What are the key properties of N-[[3-(5-ethylfuran-2-yl)-2,2-dimethylcyclopropyl]methyl]propan-2-amine?
N-[[3-(5-ethylfuran-2-yl)-2,2-dimethylcyclopropyl]methyl]propan-2-amine has a molecular weight of 235.37 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(5-ethylfuran-2-yl)-2,2-dimethylcyclopropyl]methyl]propan-2-amine is sourced from PubChem (CID 114229647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).