2-ethyl-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine

C17H32N2O — CID 62258855

IUPAC2-ethyl-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine
SMILESCCC(C)(CNCC(C)C)CN(C)Cc1ccoc1C
InChIInChI=1S/C17H32N2O/c1-7-17(5,12-18-10-14(2)3)13-19(6)11-16-8-9-20-15(16)4/h8-9,14,18H,7,10-13H2,1-6H3
InChIKeySKNUFFCNTWWCQU-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.68
Rot. Bonds9

About 2-ethyl-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine

2-ethyl-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine (PubChem CID 62258855) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 2-ethyl-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine.

Molecular Properties

Compound Name2-ethyl-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine
PubChem CID62258855
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name2-ethyl-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine
SMILESCCC(C)(CNCC(C)C)CN(C)Cc1ccoc1C
InChIInChI=1S/C17H32N2O/c1-7-17(5,12-18-10-14(2)3)13-19(6)11-16-8-9-20-15(16)4/h8-9,14,18H,7,10-13H2,1-6H3
InChIKeySKNUFFCNTWWCQU-UHFFFAOYSA-N
XLogP3.68
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine?
The IUPAC name of 2-ethyl-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine (CID 62258855) is 2-ethyl-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine.
What is the SMILES notation for 2-ethyl-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine?
The canonical SMILES for 2-ethyl-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine is CCC(C)(CNCC(C)C)CN(C)Cc1ccoc1C.
What is the InChIKey of 2-ethyl-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine?
The InChIKey is SKNUFFCNTWWCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-7-17(5,12-18-10-14(2)3)13-19(6)11-16-8-9-20-15(16)4/h8-9,14,18H,7,10-13H2,1-6H3.
What are the key properties of 2-ethyl-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine?
2-ethyl-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine has a molecular weight of 280.46 g/mol, XLogP of 3.68, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine is sourced from PubChem (CID 62258855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).