N-[6-(2,3-dihydro-1-benzofuran-5-yl)hexyl]cyclopropanamine

C17H25NO — CID 65308356

IUPACN-[6-(2,3-dihydro-1-benzofuran-5-yl)hexyl]cyclopropanamine
SMILESc1cc2c(cc1CCCCCCNC1CC1)CCO2
InChIInChI=1S/C17H25NO/c1(2-4-11-18-16-7-8-16)3-5-14-6-9-17-15(13-14)10-12-19-17/h6,9,13,16,18H,1-5,7-8,10-12H2
InChIKeyLXZZXNCREFPZTK-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.48
Rot. Bonds8

About N-[6-(2,3-dihydro-1-benzofuran-5-yl)hexyl]cyclopropanamine

N-[6-(2,3-dihydro-1-benzofuran-5-yl)hexyl]cyclopropanamine (PubChem CID 65308356) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is N-[6-(2,3-dihydro-1-benzofuran-5-yl)hexyl]cyclopropanamine.

Molecular Properties

Compound NameN-[6-(2,3-dihydro-1-benzofuran-5-yl)hexyl]cyclopropanamine
PubChem CID65308356
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC NameN-[6-(2,3-dihydro-1-benzofuran-5-yl)hexyl]cyclopropanamine
SMILESc1cc2c(cc1CCCCCCNC1CC1)CCO2
InChIInChI=1S/C17H25NO/c1(2-4-11-18-16-7-8-16)3-5-14-6-9-17-15(13-14)10-12-19-17/h6,9,13,16,18H,1-5,7-8,10-12H2
InChIKeyLXZZXNCREFPZTK-UHFFFAOYSA-N
XLogP3.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-methylpiperidin-4-amine
CID 65431601
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1,1-dioxothian-4-amine
CID 65431787
N-[5-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)pentyl]cyclopropanamine
CID 65305644
N-[6-(2,2-dimethyl-3H-1-benzofuran-5-yl)hexyl]cyclopropanamine
CID 65306067
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]oxan-3-amine
CID 65447112
3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylpropan-1-amine
CID 65446095
6-(3,4-dihydro-2H-chromen-6-yl)-N-ethylhexan-1-amine
CID 65306061
N-[4-(2,3-dihydro-1H-inden-5-yl)butyl]cyclopentanamine
CID 98016854
N-[6-(3,4-dimethylphenyl)hexyl]cyclopropanamine
CID 65308417
N-[3-(cyclopropylamino)propyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 62201269
N'-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]ethane-1,2-diamine
CID 65444450
4-(2,3-dihydro-1-benzofuran-5-ylmethylamino)cyclohexane-1-carbonitrile
CID 115150163

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,3-dihydro-1-benzofuran-5-yl)hexyl]cyclopropanamine?
The IUPAC name of N-[6-(2,3-dihydro-1-benzofuran-5-yl)hexyl]cyclopropanamine (CID 65308356) is N-[6-(2,3-dihydro-1-benzofuran-5-yl)hexyl]cyclopropanamine.
What is the SMILES notation for N-[6-(2,3-dihydro-1-benzofuran-5-yl)hexyl]cyclopropanamine?
The canonical SMILES for N-[6-(2,3-dihydro-1-benzofuran-5-yl)hexyl]cyclopropanamine is c1cc2c(cc1CCCCCCNC1CC1)CCO2.
What is the InChIKey of N-[6-(2,3-dihydro-1-benzofuran-5-yl)hexyl]cyclopropanamine?
The InChIKey is LXZZXNCREFPZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1(2-4-11-18-16-7-8-16)3-5-14-6-9-17-15(13-14)10-12-19-17/h6,9,13,16,18H,1-5,7-8,10-12H2.
What are the key properties of N-[6-(2,3-dihydro-1-benzofuran-5-yl)hexyl]cyclopropanamine?
N-[6-(2,3-dihydro-1-benzofuran-5-yl)hexyl]cyclopropanamine has a molecular weight of 259.39 g/mol, XLogP of 3.48, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,3-dihydro-1-benzofuran-5-yl)hexyl]cyclopropanamine is sourced from PubChem (CID 65308356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).