N-(1-benzofuran-3-ylmethyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine

C17H24N2O — CID 80701649

IUPACN-(1-benzofuran-3-ylmethyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
SMILESCN(CCNCc1coc2ccccc12)C1CCCC1
InChIInChI=1S/C17H24N2O/c1-19(15-6-2-3-7-15)11-10-18-12-14-13-20-17-9-5-4-8-16(14)17/h4-5,8-9,13,15,18H,2-3,6-7,10-12H2,1H3
InChIKeyBPCANDQUZULRKM-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.40
Rot. Bonds6

About N-(1-benzofuran-3-ylmethyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine

N-(1-benzofuran-3-ylmethyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine (PubChem CID 80701649) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-(1-benzofuran-3-ylmethyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-(1-benzofuran-3-ylmethyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
PubChem CID80701649
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-(1-benzofuran-3-ylmethyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
SMILESCN(CCNCc1coc2ccccc12)C1CCCC1
InChIInChI=1S/C17H24N2O/c1-19(15-6-2-3-7-15)11-10-18-12-14-13-20-17-9-5-4-8-16(14)17/h4-5,8-9,13,15,18H,2-3,6-7,10-12H2,1H3
InChIKeyBPCANDQUZULRKM-UHFFFAOYSA-N
XLogP3.40
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1-benzofuran-3-ylmethyl)-N',N'-dimethylpropane-1,3-diamine
CID 80701115
2-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]phenol
CID 63314661
N-(1-benzofuran-3-ylmethyl)-1-cyclopentylmethanamine
CID 80700500
N'-cyclopropyl-N'-methyl-N-(naphthalen-1-ylmethyl)ethane-1,2-diamine
CID 62975885
N-(1-benzofuran-3-ylmethyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 103826256
2-[(1-benzofuran-3-ylmethylamino)methyl]cyclohexan-1-ol
CID 80703135
2-[[2-[cyclopropyl(methyl)amino]ethylamino]methyl]phenol
CID 62976073
N'-cyclopentyl-N-[(2,3-difluorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 63318484
N-(1-benzofuran-3-ylmethyl)-3-chloropropan-1-amine
CID 115215675
N'-(1-benzofuran-3-ylmethyl)-N-ethylpropane-1,3-diamine
CID 113410163
2-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]-6-methylphenol
CID 112554689
3-(cyclobutylmethyl)-1-benzofuran
CID 145054198

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-3-ylmethyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine?
The IUPAC name of N-(1-benzofuran-3-ylmethyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine (CID 80701649) is N-(1-benzofuran-3-ylmethyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-(1-benzofuran-3-ylmethyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine?
The canonical SMILES for N-(1-benzofuran-3-ylmethyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine is CN(CCNCc1coc2ccccc12)C1CCCC1.
What is the InChIKey of N-(1-benzofuran-3-ylmethyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine?
The InChIKey is BPCANDQUZULRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-19(15-6-2-3-7-15)11-10-18-12-14-13-20-17-9-5-4-8-16(14)17/h4-5,8-9,13,15,18H,2-3,6-7,10-12H2,1H3.
What are the key properties of N-(1-benzofuran-3-ylmethyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine?
N-(1-benzofuran-3-ylmethyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine has a molecular weight of 272.39 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-3-ylmethyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine is sourced from PubChem (CID 80701649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).