1-(1-benzofuran-2-yl)-N-pentyl-N-propan-2-ylethane-1,2-diamine

C18H28N2O — CID 63898659

IUPAC1-(1-benzofuran-2-yl)-N-pentyl-N-propan-2-ylethane-1,2-diamine
SMILESCCCCCN(C(C)C)C(CN)c1cc2ccccc2o1
InChIInChI=1S/C18H28N2O/c1-4-5-8-11-20(14(2)3)16(13-19)18-12-15-9-6-7-10-17(15)21-18/h6-7,9-10,12,14,16H,4-5,8,11,13,19H2,1-3H3
InChIKeyNJNLTPWYGJIBLZ-UHFFFAOYSA-N
MW288.43 g/mol
LogP4.33
Rot. Bonds8

About 1-(1-benzofuran-2-yl)-N-pentyl-N-propan-2-ylethane-1,2-diamine

1-(1-benzofuran-2-yl)-N-pentyl-N-propan-2-ylethane-1,2-diamine (PubChem CID 63898659) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-N-pentyl-N-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-N-pentyl-N-propan-2-ylethane-1,2-diamine
PubChem CID63898659
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name1-(1-benzofuran-2-yl)-N-pentyl-N-propan-2-ylethane-1,2-diamine
SMILESCCCCCN(C(C)C)C(CN)c1cc2ccccc2o1
InChIInChI=1S/C18H28N2O/c1-4-5-8-11-20(14(2)3)16(13-19)18-12-15-9-6-7-10-17(15)21-18/h6-7,9-10,12,14,16H,4-5,8,11,13,19H2,1-3H3
InChIKeyNJNLTPWYGJIBLZ-UHFFFAOYSA-N
XLogP4.33
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 54.33
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

1-(1-benzofuran-2-yl)-N-ethyl-N-propylethane-1,2-diamine
CID 63898460
1-(5-methylfuran-2-yl)-N-pentyl-N-propan-2-ylethane-1,2-diamine
CID 55001862
1-(3,5-dimethylphenyl)-N-pentyl-N-propan-2-ylethane-1,2-diamine
CID 63473286
1-(1-benzofuran-2-yl)-N-ethyl-N-phenylethane-1,2-diamine
CID 63898650
1-(1-benzofuran-2-yl)-N-benzyl-N-methylethane-1,2-diamine
CID 63896231
1-(1-benzofuran-2-yl)heptan-1-ol
CID 63089894
N-[1-(1-benzofuran-2-yl)ethyl]hexan-1-amine
CID 43080080
N-[1-(1-benzofuran-2-yl)ethyl-methylsulfamoyl]-N-butylbutan-1-amine
CID 55905246
2-butan-2-yl-1-benzofuran
CID 12065919
1-(1-benzofuran-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 65383510
(2R)-2-(1-benzofuran-2-yl)-2-methoxyethanamine
CID 94846259
1-(4-methoxy-3-methylphenyl)-N-pentyl-N-propan-2-ylethane-1,2-diamine
CID 62133905

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-N-pentyl-N-propan-2-ylethane-1,2-diamine?
The IUPAC name of 1-(1-benzofuran-2-yl)-N-pentyl-N-propan-2-ylethane-1,2-diamine (CID 63898659) is 1-(1-benzofuran-2-yl)-N-pentyl-N-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-N-pentyl-N-propan-2-ylethane-1,2-diamine?
The canonical SMILES for 1-(1-benzofuran-2-yl)-N-pentyl-N-propan-2-ylethane-1,2-diamine is CCCCCN(C(C)C)C(CN)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-N-pentyl-N-propan-2-ylethane-1,2-diamine?
The InChIKey is NJNLTPWYGJIBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-4-5-8-11-20(14(2)3)16(13-19)18-12-15-9-6-7-10-17(15)21-18/h6-7,9-10,12,14,16H,4-5,8,11,13,19H2,1-3H3.
What are the key properties of 1-(1-benzofuran-2-yl)-N-pentyl-N-propan-2-ylethane-1,2-diamine?
1-(1-benzofuran-2-yl)-N-pentyl-N-propan-2-ylethane-1,2-diamine has a molecular weight of 288.43 g/mol, XLogP of 4.33, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-N-pentyl-N-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 63898659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).