2-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-N,1-N,4-trimethylpentane-1,2-diamine

C18H30N2O — CID 65444828

IUPAC2-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-N,1-N,4-trimethylpentane-1,2-diamine
SMILESCC(C)CC(CN(C)C)NCCc1ccc2c(c1)CCO2
InChIInChI=1S/C18H30N2O/c1-14(2)11-17(13-20(3)4)19-9-7-15-5-6-18-16(12-15)8-10-21-18/h5-6,12,14,17,19H,7-11,13H2,1-4H3
InChIKeyJMJRPLMXYQZPOL-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.73
Rot. Bonds8

About 2-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-N,1-N,4-trimethylpentane-1,2-diamine

2-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-N,1-N,4-trimethylpentane-1,2-diamine (PubChem CID 65444828) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-N,1-N,4-trimethylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-N,1-N,4-trimethylpentane-1,2-diamine
PubChem CID65444828
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name2-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-N,1-N,4-trimethylpentane-1,2-diamine
SMILESCC(C)CC(CN(C)C)NCCc1ccc2c(c1)CCO2
InChIInChI=1S/C18H30N2O/c1-14(2)11-17(13-20(3)4)19-9-7-15-5-6-18-16(12-15)8-10-21-18/h5-6,12,14,17,19H,7-11,13H2,1-4H3
InChIKeyJMJRPLMXYQZPOL-UHFFFAOYSA-N
XLogP2.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-N,1-N,4-trimethylpentane-1,2-diamine with MolForge

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Related Compounds

1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-5-methylhexan-3-amine
CID 65447030
2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]-4-methylpentanoic acid
CID 65444506
1-bromo-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]propan-2-amine
CID 107859705
4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]pentan-2-ol
CID 113376192
1-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 65445582
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pent-1-yn-3-amine
CID 106229543
N'-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 65444678
(1S)-1-(2-chlorophenyl)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]ethanamine
CID 81375305
1-(2,3-dihydro-1-benzofuran-5-yl)-5-methylhexan-3-amine
CID 65446268
(2S)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-hydroxypropanamide
CID 99829015
3-chloro-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]butan-1-amine
CID 65446335
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methylpropan-2-amine
CID 64866852

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-N,1-N,4-trimethylpentane-1,2-diamine?
The IUPAC name of 2-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-N,1-N,4-trimethylpentane-1,2-diamine (CID 65444828) is 2-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-N,1-N,4-trimethylpentane-1,2-diamine.
What is the SMILES notation for 2-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-N,1-N,4-trimethylpentane-1,2-diamine?
The canonical SMILES for 2-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-N,1-N,4-trimethylpentane-1,2-diamine is CC(C)CC(CN(C)C)NCCc1ccc2c(c1)CCO2.
What is the InChIKey of 2-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-N,1-N,4-trimethylpentane-1,2-diamine?
The InChIKey is JMJRPLMXYQZPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-14(2)11-17(13-20(3)4)19-9-7-15-5-6-18-16(12-15)8-10-21-18/h5-6,12,14,17,19H,7-11,13H2,1-4H3.
What are the key properties of 2-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-N,1-N,4-trimethylpentane-1,2-diamine?
2-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-N,1-N,4-trimethylpentane-1,2-diamine has a molecular weight of 290.45 g/mol, XLogP of 2.73, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-N,1-N,4-trimethylpentane-1,2-diamine is sourced from PubChem (CID 65444828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).