2-(1-benzofuran-2-yl)-N-propylcycloheptan-1-amine

C18H25NO — CID 114732944

IUPAC2-(1-benzofuran-2-yl)-N-propylcycloheptan-1-amine
SMILESCCCNC1CCCCCC1c1cc2ccccc2o1
InChIInChI=1S/C18H25NO/c1-2-12-19-16-10-5-3-4-9-15(16)18-13-14-8-6-7-11-17(14)20-18/h6-8,11,13,15-16,19H,2-5,9-10,12H2,1H3
InChIKeyWJEWRSKEEOEVGV-UHFFFAOYSA-N
MW271.40 g/mol
LogP4.85
Rot. Bonds4

About 2-(1-benzofuran-2-yl)-N-propylcycloheptan-1-amine

2-(1-benzofuran-2-yl)-N-propylcycloheptan-1-amine (PubChem CID 114732944) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)-N-propylcycloheptan-1-amine.

Molecular Properties

Compound Name2-(1-benzofuran-2-yl)-N-propylcycloheptan-1-amine
PubChem CID114732944
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name2-(1-benzofuran-2-yl)-N-propylcycloheptan-1-amine
SMILESCCCNC1CCCCCC1c1cc2ccccc2o1
InChIInChI=1S/C18H25NO/c1-2-12-19-16-10-5-3-4-9-15(16)18-13-14-8-6-7-11-17(14)20-18/h6-8,11,13,15-16,19H,2-5,9-10,12H2,1H3
InChIKeyWJEWRSKEEOEVGV-UHFFFAOYSA-N
XLogP4.85
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-yl)-N-propylcycloheptan-1-amine?
The IUPAC name of 2-(1-benzofuran-2-yl)-N-propylcycloheptan-1-amine (CID 114732944) is 2-(1-benzofuran-2-yl)-N-propylcycloheptan-1-amine.
What is the SMILES notation for 2-(1-benzofuran-2-yl)-N-propylcycloheptan-1-amine?
The canonical SMILES for 2-(1-benzofuran-2-yl)-N-propylcycloheptan-1-amine is CCCNC1CCCCCC1c1cc2ccccc2o1.
What is the InChIKey of 2-(1-benzofuran-2-yl)-N-propylcycloheptan-1-amine?
The InChIKey is WJEWRSKEEOEVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-2-12-19-16-10-5-3-4-9-15(16)18-13-14-8-6-7-11-17(14)20-18/h6-8,11,13,15-16,19H,2-5,9-10,12H2,1H3.
What are the key properties of 2-(1-benzofuran-2-yl)-N-propylcycloheptan-1-amine?
2-(1-benzofuran-2-yl)-N-propylcycloheptan-1-amine has a molecular weight of 271.40 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-yl)-N-propylcycloheptan-1-amine is sourced from PubChem (CID 114732944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).