N'-ethyl-2,2-dimethyl-N'-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propane-1,3-diamine

C15H26N2O — CID 113315290

IUPACN'-ethyl-2,2-dimethyl-N'-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propane-1,3-diamine
SMILESCCN(CC(C)(C)CN)C1CCCc2occc21
InChIInChI=1S/C15H26N2O/c1-4-17(11-15(2,3)10-16)13-6-5-7-14-12(13)8-9-18-14/h8-9,13H,4-7,10-11,16H2,1-3H3
InChIKeyOFKPOKJHFJHEMB-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.96
Rot. Bonds5

About N'-ethyl-2,2-dimethyl-N'-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propane-1,3-diamine

N'-ethyl-2,2-dimethyl-N'-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propane-1,3-diamine (PubChem CID 113315290) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N'-ethyl-2,2-dimethyl-N'-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-2,2-dimethyl-N'-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propane-1,3-diamine
PubChem CID113315290
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN'-ethyl-2,2-dimethyl-N'-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propane-1,3-diamine
SMILESCCN(CC(C)(C)CN)C1CCCc2occc21
InChIInChI=1S/C15H26N2O/c1-4-17(11-15(2,3)10-16)13-6-5-7-14-12(13)8-9-18-14/h8-9,13H,4-7,10-11,16H2,1-3H3
InChIKeyOFKPOKJHFJHEMB-UHFFFAOYSA-N
XLogP2.96
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-ethyl-2,2-dimethyl-N'-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propane-1,3-diamine?
The IUPAC name of N'-ethyl-2,2-dimethyl-N'-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propane-1,3-diamine (CID 113315290) is N'-ethyl-2,2-dimethyl-N'-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propane-1,3-diamine.
What is the SMILES notation for N'-ethyl-2,2-dimethyl-N'-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propane-1,3-diamine?
The canonical SMILES for N'-ethyl-2,2-dimethyl-N'-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propane-1,3-diamine is CCN(CC(C)(C)CN)C1CCCc2occc21.
What is the InChIKey of N'-ethyl-2,2-dimethyl-N'-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propane-1,3-diamine?
The InChIKey is OFKPOKJHFJHEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-4-17(11-15(2,3)10-16)13-6-5-7-14-12(13)8-9-18-14/h8-9,13H,4-7,10-11,16H2,1-3H3.
What are the key properties of N'-ethyl-2,2-dimethyl-N'-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propane-1,3-diamine?
N'-ethyl-2,2-dimethyl-N'-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propane-1,3-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-2,2-dimethyl-N'-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propane-1,3-diamine is sourced from PubChem (CID 113315290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).