N'-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N'-pentan-3-ylethane-1,2-diamine

C17H28N2O — CID 65446713

IUPACN'-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N'-pentan-3-ylethane-1,2-diamine
SMILESCCC(CC)N(CCN)CCc1ccc2c(c1)CCO2
InChIInChI=1S/C17H28N2O/c1-3-16(4-2)19(11-9-18)10-7-14-5-6-17-15(13-14)8-12-20-17/h5-6,13,16H,3-4,7-12,18H2,1-2H3
InChIKeyKHXABOLWXCSLRF-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.61
Rot. Bonds8

About N'-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N'-pentan-3-ylethane-1,2-diamine

N'-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N'-pentan-3-ylethane-1,2-diamine (PubChem CID 65446713) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N'-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N'-pentan-3-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N'-pentan-3-ylethane-1,2-diamine
PubChem CID65446713
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN'-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N'-pentan-3-ylethane-1,2-diamine
SMILESCCC(CC)N(CCN)CCc1ccc2c(c1)CCO2
InChIInChI=1S/C17H28N2O/c1-3-16(4-2)19(11-9-18)10-7-14-5-6-17-15(13-14)8-12-20-17/h5-6,13,16H,3-4,7-12,18H2,1-2H3
InChIKeyKHXABOLWXCSLRF-UHFFFAOYSA-N
XLogP2.61
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloroethyl)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pentan-3-amine
CID 65445941
N'-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N'-ethylethane-1,2-diamine
CID 65431778
N'-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N'-methylmethanediamine
CID 115226278
5-(2,3-dihydro-1-benzofuran-5-yl)-3-methylpentan-1-amine
CID 65300933
3-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-N,3-dimethylbutane-1,3-diamine
CID 115135033
N'-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N'-(2-methylpropyl)propane-1,3-diamine
CID 65429176
2-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-N,2-dimethylpropane-1,2-diamine
CID 65429361
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylpentan-3-amine
CID 65444946
2-[[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl-methylamino]methyl]butanenitrile
CID 115254139
2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl-methylamino]butanoic acid
CID 65444695
3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl-propan-2-ylamino]propanoic acid
CID 65446593
N'-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]ethane-1,2-diamine
CID 65444450

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N'-pentan-3-ylethane-1,2-diamine?
The IUPAC name of N'-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N'-pentan-3-ylethane-1,2-diamine (CID 65446713) is N'-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N'-pentan-3-ylethane-1,2-diamine.
What is the SMILES notation for N'-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N'-pentan-3-ylethane-1,2-diamine?
The canonical SMILES for N'-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N'-pentan-3-ylethane-1,2-diamine is CCC(CC)N(CCN)CCc1ccc2c(c1)CCO2.
What is the InChIKey of N'-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N'-pentan-3-ylethane-1,2-diamine?
The InChIKey is KHXABOLWXCSLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-3-16(4-2)19(11-9-18)10-7-14-5-6-17-15(13-14)8-12-20-17/h5-6,13,16H,3-4,7-12,18H2,1-2H3.
What are the key properties of N'-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N'-pentan-3-ylethane-1,2-diamine?
N'-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N'-pentan-3-ylethane-1,2-diamine has a molecular weight of 276.42 g/mol, XLogP of 2.61, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N'-pentan-3-ylethane-1,2-diamine is sourced from PubChem (CID 65446713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).