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

C18H34N2O — CID 63494502

IUPAC2,2-diethyl-N-methyl-N-[(2-methylfuran-3-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine
SMILESCCC(CC)(CNCC(C)C)CN(C)Cc1ccoc1C
InChIInChI=1S/C18H34N2O/c1-7-18(8-2,13-19-11-15(3)4)14-20(6)12-17-9-10-21-16(17)5/h9-10,15,19H,7-8,11-14H2,1-6H3
InChIKeyXLUJUTXJNDPEJT-UHFFFAOYSA-N
MW294.48 g/mol
LogP4.07
Rot. Bonds10

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

2,2-diethyl-N-methyl-N-[(2-methylfuran-3-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine (PubChem CID 63494502) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is 2,2-diethyl-N-methyl-N-[(2-methylfuran-3-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine.

Molecular Properties

Compound Name2,2-diethyl-N-methyl-N-[(2-methylfuran-3-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine
PubChem CID63494502
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC Name2,2-diethyl-N-methyl-N-[(2-methylfuran-3-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine
SMILESCCC(CC)(CNCC(C)C)CN(C)Cc1ccoc1C
InChIInChI=1S/C18H34N2O/c1-7-18(8-2,13-19-11-15(3)4)14-20(6)12-17-9-10-21-16(17)5/h9-10,15,19H,7-8,11-14H2,1-6H3
InChIKeyXLUJUTXJNDPEJT-UHFFFAOYSA-N
XLogP4.07
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,2,2-triethyl-N'-methyl-N'-[(2-methylfuran-3-yl)methyl]propane-1,3-diamine
CID 62260916
2-ethyl-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine
CID 62258855
N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine
CID 62412884
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-methyl-1-[methyl-[(2-methylfuran-3-yl)methyl]amino]butan-2-ol
CID 114495435
1-[[2-ethyl-2-[(2-methylpropylamino)methyl]butyl]-methylamino]-2-methylpropan-2-ol
CID 79377983
2,2-diethyl-N'-methyl-N-(2-methylpropyl)-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine
CID 62257257
2,2-diethyl-N-methyl-N'-(2-methylpropyl)-N-propan-2-ylpropane-1,3-diamine
CID 62262271
2-methyl-2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]pentanal
CID 62275710
N-(cyclopropylmethyl)-2,2-diethyl-N-methyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62257932
1-methyl-1-[(2-methylfuran-3-yl)methyl]-3-(2-methylpropyl)thiourea
CID 115591598

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-N-methyl-N-[(2-methylfuran-3-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine?
The IUPAC name of 2,2-diethyl-N-methyl-N-[(2-methylfuran-3-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine (CID 63494502) is 2,2-diethyl-N-methyl-N-[(2-methylfuran-3-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine.
What is the SMILES notation for 2,2-diethyl-N-methyl-N-[(2-methylfuran-3-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine?
The canonical SMILES for 2,2-diethyl-N-methyl-N-[(2-methylfuran-3-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine is CCC(CC)(CNCC(C)C)CN(C)Cc1ccoc1C.
What is the InChIKey of 2,2-diethyl-N-methyl-N-[(2-methylfuran-3-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine?
The InChIKey is XLUJUTXJNDPEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O/c1-7-18(8-2,13-19-11-15(3)4)14-20(6)12-17-9-10-21-16(17)5/h9-10,15,19H,7-8,11-14H2,1-6H3.
What are the key properties of 2,2-diethyl-N-methyl-N-[(2-methylfuran-3-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine?
2,2-diethyl-N-methyl-N-[(2-methylfuran-3-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine has a molecular weight of 294.48 g/mol, XLogP of 4.07, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-N-methyl-N-[(2-methylfuran-3-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine is sourced from PubChem (CID 63494502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).