N-tert-butyl-2-ethyl-N',2-dimethyl-N'-[(5-methylfuran-2-yl)methyl]propane-1,3-diamine

C17H32N2O — CID 62255918

IUPACN-tert-butyl-2-ethyl-N',2-dimethyl-N'-[(5-methylfuran-2-yl)methyl]propane-1,3-diamine
SMILESCCC(C)(CNC(C)(C)C)CN(C)Cc1ccc(C)o1
InChIInChI=1S/C17H32N2O/c1-8-17(6,12-18-16(3,4)5)13-19(7)11-15-10-9-14(2)20-15/h9-10,18H,8,11-13H2,1-7H3
InChIKeyRYBNTUUOXWLSSN-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.82
Rot. Bonds7

About N-tert-butyl-2-ethyl-N',2-dimethyl-N'-[(5-methylfuran-2-yl)methyl]propane-1,3-diamine

N-tert-butyl-2-ethyl-N',2-dimethyl-N'-[(5-methylfuran-2-yl)methyl]propane-1,3-diamine (PubChem CID 62255918) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is N-tert-butyl-2-ethyl-N',2-dimethyl-N'-[(5-methylfuran-2-yl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN-tert-butyl-2-ethyl-N',2-dimethyl-N'-[(5-methylfuran-2-yl)methyl]propane-1,3-diamine
PubChem CID62255918
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC NameN-tert-butyl-2-ethyl-N',2-dimethyl-N'-[(5-methylfuran-2-yl)methyl]propane-1,3-diamine
SMILESCCC(C)(CNC(C)(C)C)CN(C)Cc1ccc(C)o1
InChIInChI=1S/C17H32N2O/c1-8-17(6,12-18-16(3,4)5)13-19(7)11-15-10-9-14(2)20-15/h9-10,18H,8,11-13H2,1-7H3
InChIKeyRYBNTUUOXWLSSN-UHFFFAOYSA-N
XLogP3.82
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-tert-butyl-2-ethyl-N',2-dimethyl-N'-[(5-methylfuran-2-yl)methyl]propane-1,3-diamine with MolForge

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Related Compounds

N-ethyl-N',2-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-2-propylpropane-1,3-diamine
CID 62255914
N',2-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-2-propylpropane-1,3-diamine
CID 62256958
2-methyl-1-[methyl-[(5-methylfuran-2-yl)methyl]amino]propan-2-ol
CID 60886966
N-benzyl-N'-tert-butyl-2-ethyl-N,2-dimethylpropane-1,3-diamine
CID 62262100
2,2-diethyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]-N'-propan-2-ylpropane-1,3-diamine
CID 62257493
1-N,2,2,3-tetramethyl-1-N-[(5-methylfuran-2-yl)methyl]butane-1,3-diamine
CID 65266928
2-methyl-N-[[5-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107555875
N,N',2-trimethyl-N'-[(5-methylfuran-2-yl)methyl]-2-phenylpropane-1,3-diamine
CID 62258012
N-tert-butyl-N'-[(3-chlorophenyl)methyl]-2-ethyl-N',2-dimethylpropane-1,3-diamine
CID 63495152
1-N,2,2-trimethyl-1-N-[(5-methylfuran-2-yl)methyl]-3-N-propylbutane-1,3-diamine
CID 66455352
N-tert-butyl-2-ethyl-N',2-dimethyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 62257217
N,N'-dimethyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 43526366

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-ethyl-N',2-dimethyl-N'-[(5-methylfuran-2-yl)methyl]propane-1,3-diamine?
The IUPAC name of N-tert-butyl-2-ethyl-N',2-dimethyl-N'-[(5-methylfuran-2-yl)methyl]propane-1,3-diamine (CID 62255918) is N-tert-butyl-2-ethyl-N',2-dimethyl-N'-[(5-methylfuran-2-yl)methyl]propane-1,3-diamine.
What is the SMILES notation for N-tert-butyl-2-ethyl-N',2-dimethyl-N'-[(5-methylfuran-2-yl)methyl]propane-1,3-diamine?
The canonical SMILES for N-tert-butyl-2-ethyl-N',2-dimethyl-N'-[(5-methylfuran-2-yl)methyl]propane-1,3-diamine is CCC(C)(CNC(C)(C)C)CN(C)Cc1ccc(C)o1.
What is the InChIKey of N-tert-butyl-2-ethyl-N',2-dimethyl-N'-[(5-methylfuran-2-yl)methyl]propane-1,3-diamine?
The InChIKey is RYBNTUUOXWLSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-8-17(6,12-18-16(3,4)5)13-19(7)11-15-10-9-14(2)20-15/h9-10,18H,8,11-13H2,1-7H3.
What are the key properties of N-tert-butyl-2-ethyl-N',2-dimethyl-N'-[(5-methylfuran-2-yl)methyl]propane-1,3-diamine?
N-tert-butyl-2-ethyl-N',2-dimethyl-N'-[(5-methylfuran-2-yl)methyl]propane-1,3-diamine has a molecular weight of 280.46 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-ethyl-N',2-dimethyl-N'-[(5-methylfuran-2-yl)methyl]propane-1,3-diamine is sourced from PubChem (CID 62255918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).