N-[2-(5-butan-2-yl-1-benzofuran-3-yl)ethyl]cyclopropanamine

C17H23NO — CID 107669916

IUPACN-[2-(5-butan-2-yl-1-benzofuran-3-yl)ethyl]cyclopropanamine
SMILESCCC(C)c1ccc2occ(CCNC3CC3)c2c1
InChIInChI=1S/C17H23NO/c1-3-12(2)13-4-7-17-16(10-13)14(11-19-17)8-9-18-15-5-6-15/h4,7,10-12,15,18H,3,5-6,8-9H2,1-2H3
InChIKeyHVJGHFDRZGOJRI-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.24
Rot. Bonds6

About N-[2-(5-butan-2-yl-1-benzofuran-3-yl)ethyl]cyclopropanamine

N-[2-(5-butan-2-yl-1-benzofuran-3-yl)ethyl]cyclopropanamine (PubChem CID 107669916) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is N-[2-(5-butan-2-yl-1-benzofuran-3-yl)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(5-butan-2-yl-1-benzofuran-3-yl)ethyl]cyclopropanamine
PubChem CID107669916
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC NameN-[2-(5-butan-2-yl-1-benzofuran-3-yl)ethyl]cyclopropanamine
SMILESCCC(C)c1ccc2occ(CCNC3CC3)c2c1
InChIInChI=1S/C17H23NO/c1-3-12(2)13-4-7-17-16(10-13)14(11-19-17)8-9-18-15-5-6-15/h4,7,10-12,15,18H,3,5-6,8-9H2,1-2H3
InChIKeyHVJGHFDRZGOJRI-UHFFFAOYSA-N
XLogP4.24
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-butan-2-yl-1-benzofuran-3-yl)ethyl]cyclopropanamine?
The IUPAC name of N-[2-(5-butan-2-yl-1-benzofuran-3-yl)ethyl]cyclopropanamine (CID 107669916) is N-[2-(5-butan-2-yl-1-benzofuran-3-yl)ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(5-butan-2-yl-1-benzofuran-3-yl)ethyl]cyclopropanamine?
The canonical SMILES for N-[2-(5-butan-2-yl-1-benzofuran-3-yl)ethyl]cyclopropanamine is CCC(C)c1ccc2occ(CCNC3CC3)c2c1.
What is the InChIKey of N-[2-(5-butan-2-yl-1-benzofuran-3-yl)ethyl]cyclopropanamine?
The InChIKey is HVJGHFDRZGOJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-3-12(2)13-4-7-17-16(10-13)14(11-19-17)8-9-18-15-5-6-15/h4,7,10-12,15,18H,3,5-6,8-9H2,1-2H3.
What are the key properties of N-[2-(5-butan-2-yl-1-benzofuran-3-yl)ethyl]cyclopropanamine?
N-[2-(5-butan-2-yl-1-benzofuran-3-yl)ethyl]cyclopropanamine has a molecular weight of 257.38 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-butan-2-yl-1-benzofuran-3-yl)ethyl]cyclopropanamine is sourced from PubChem (CID 107669916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).