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

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

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Related Compounds

2,2-diethyl-N-methyl-N-[(2-methylfuran-3-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine
CID 63494502
N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine
CID 62412884
2-methyl-1-[methyl-[(2-methylfuran-3-yl)methyl]amino]butan-2-ol
CID 114495435
N,2,2-triethyl-N'-methyl-N'-[(2-methylfuran-3-yl)methyl]propane-1,3-diamine
CID 62260916
1-[methyl-[(2-methylfuran-3-yl)methyl]amino]-3-(2-methylpropylamino)propan-2-ol
CID 113317475
3-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]pentan-3-ol
CID 115919434
2-ethyl-N,N,2-trimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62262144
2-methyl-2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]pentanal
CID 62275710
N-butan-2-yl-2-ethyl-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62264012
2-ethyl-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine
CID 55257102
N,2-diethyl-N',2-dimethyl-N'-[(2-methylphenyl)methyl]propane-1,3-diamine
CID 62260863
N-benzyl-N,2-dimethyl-N'-(2-methylpropyl)-2-propylpropane-1,3-diamine
CID 63483776

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).