N-(1-benzofuran-3-ylmethyl)-1-cyclopentylmethanamine

C15H19NO — CID 80700500

IUPACN-(1-benzofuran-3-ylmethyl)-1-cyclopentylmethanamine
SMILESc1ccc2c(CNCC3CCCC3)coc2c1
InChIInChI=1S/C15H19NO/c1-2-6-12(5-1)9-16-10-13-11-17-15-8-4-3-7-14(13)15/h3-4,7-8,11-12,16H,1-2,5-6,9-10H2
InChIKeyZDEKDUCBUHZTOQ-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.71
Rot. Bonds4

About N-(1-benzofuran-3-ylmethyl)-1-cyclopentylmethanamine

N-(1-benzofuran-3-ylmethyl)-1-cyclopentylmethanamine (PubChem CID 80700500) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is N-(1-benzofuran-3-ylmethyl)-1-cyclopentylmethanamine.

Molecular Properties

Compound NameN-(1-benzofuran-3-ylmethyl)-1-cyclopentylmethanamine
PubChem CID80700500
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC NameN-(1-benzofuran-3-ylmethyl)-1-cyclopentylmethanamine
SMILESc1ccc2c(CNCC3CCCC3)coc2c1
InChIInChI=1S/C15H19NO/c1-2-6-12(5-1)9-16-10-13-11-17-15-8-4-3-7-14(13)15/h3-4,7-8,11-12,16H,1-2,5-6,9-10H2
InChIKeyZDEKDUCBUHZTOQ-UHFFFAOYSA-N
XLogP3.71
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1-benzofuran-3-ylmethylamino)methyl]cyclohexan-1-ol
CID 80703135
N-(1-benzofuran-3-ylmethyl)-1-(2-methylcyclohexyl)methanamine
CID 80701390
N-(1-benzofuran-3-ylmethyl)-1-(1-ethylpyrrolidin-3-yl)methanamine
CID 80701048
3-(cyclobutylmethyl)-1-benzofuran
CID 145054198
N-(1-benzofuran-3-ylmethyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 80701649
5-[(1-benzofuran-3-ylmethylamino)methyl]pyrrolidin-2-one
CID 80702882
2-(1-benzofuran-3-yl)-N-cyclopentylacetamide
CID 110848759
1-(1-benzofuran-3-yl)-N-(methoxymethyl)methanamine
CID 115258609
2-(1-benzofuran-3-ylmethylamino)-N-cyclopropylacetamide
CID 80700757
2-[(cyclopentylmethylamino)methyl]phenol
CID 43370918
N-(1-benzofuran-3-ylmethyl)-2-cyclopropylpropan-2-amine
CID 103826314
1-[(1-benzofuran-3-ylmethylamino)methyl]cyclohexan-1-ol
CID 78963908

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-3-ylmethyl)-1-cyclopentylmethanamine?
The IUPAC name of N-(1-benzofuran-3-ylmethyl)-1-cyclopentylmethanamine (CID 80700500) is N-(1-benzofuran-3-ylmethyl)-1-cyclopentylmethanamine.
What is the SMILES notation for N-(1-benzofuran-3-ylmethyl)-1-cyclopentylmethanamine?
The canonical SMILES for N-(1-benzofuran-3-ylmethyl)-1-cyclopentylmethanamine is c1ccc2c(CNCC3CCCC3)coc2c1.
What is the InChIKey of N-(1-benzofuran-3-ylmethyl)-1-cyclopentylmethanamine?
The InChIKey is ZDEKDUCBUHZTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-2-6-12(5-1)9-16-10-13-11-17-15-8-4-3-7-14(13)15/h3-4,7-8,11-12,16H,1-2,5-6,9-10H2.
What are the key properties of N-(1-benzofuran-3-ylmethyl)-1-cyclopentylmethanamine?
N-(1-benzofuran-3-ylmethyl)-1-cyclopentylmethanamine has a molecular weight of 229.32 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-3-ylmethyl)-1-cyclopentylmethanamine is sourced from PubChem (CID 80700500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).