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

C16H28N2O — CID 115466816

IUPAC2,2-dimethyl-N'-propyl-N'-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propane-1,3-diamine
SMILESCCCN(CC(C)(C)CN)C1CCCc2occc21
InChIInChI=1S/C16H28N2O/c1-4-9-18(12-16(2,3)11-17)14-6-5-7-15-13(14)8-10-19-15/h8,10,14H,4-7,9,11-12,17H2,1-3H3
InChIKeyWESGETINXNDMTE-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.35
Rot. Bonds6

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

2,2-dimethyl-N'-propyl-N'-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propane-1,3-diamine (PubChem CID 115466816) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 2,2-dimethyl-N'-propyl-N'-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propane-1,3-diamine.

Molecular Properties

Compound Name2,2-dimethyl-N'-propyl-N'-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propane-1,3-diamine
PubChem CID115466816
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name2,2-dimethyl-N'-propyl-N'-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propane-1,3-diamine
SMILESCCCN(CC(C)(C)CN)C1CCCc2occc21
InChIInChI=1S/C16H28N2O/c1-4-9-18(12-16(2,3)11-17)14-6-5-7-15-13(14)8-10-19-15/h8,10,14H,4-7,9,11-12,17H2,1-3H3
InChIKeyWESGETINXNDMTE-UHFFFAOYSA-N
XLogP3.35
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,2-dimethyl-N'-propyl-N'-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propane-1,3-diamine with MolForge

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Related Compounds

N'-ethyl-2,2-dimethyl-N'-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propane-1,3-diamine
CID 113315290
2-[ethyl(4,5,6,7-tetrahydro-1-benzofuran-4-yl)amino]acetic acid
CID 115467449
N'-cyclobutyl-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79668549
2-[prop-2-ynyl(4,5,6,7-tetrahydro-1-benzofuran-4-yl)amino]acetic acid
CID 115467481
N-(2-methoxy-2-methylpropyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 104759614
2-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propan-1-amine
CID 82409419
N-(2,3-dimethoxypropyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 107093981
ethane;4-methyl-4,5,6,7-tetrahydro-1-benzofuran
CID 123540152
N-[(5-tert-butylthiophen-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 81499013
N'-(2,2-dimethylcyclohexyl)-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79847083
N'-(1,1-dioxothian-4-yl)-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79660148
2,2-dimethyl-N'-(5-oxaspiro[3.5]nonan-8-yl)-N'-propylpropane-1,3-diamine
CID 79898830

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N'-propyl-N'-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propane-1,3-diamine?
The IUPAC name of 2,2-dimethyl-N'-propyl-N'-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propane-1,3-diamine (CID 115466816) is 2,2-dimethyl-N'-propyl-N'-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propane-1,3-diamine.
What is the SMILES notation for 2,2-dimethyl-N'-propyl-N'-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propane-1,3-diamine?
The canonical SMILES for 2,2-dimethyl-N'-propyl-N'-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propane-1,3-diamine is CCCN(CC(C)(C)CN)C1CCCc2occc21.
What is the InChIKey of 2,2-dimethyl-N'-propyl-N'-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propane-1,3-diamine?
The InChIKey is WESGETINXNDMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-4-9-18(12-16(2,3)11-17)14-6-5-7-15-13(14)8-10-19-15/h8,10,14H,4-7,9,11-12,17H2,1-3H3.
What are the key properties of 2,2-dimethyl-N'-propyl-N'-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propane-1,3-diamine?
2,2-dimethyl-N'-propyl-N'-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propane-1,3-diamine has a molecular weight of 264.41 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N'-propyl-N'-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propane-1,3-diamine is sourced from PubChem (CID 115466816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).