2-ethyl-N'-(furan-3-ylmethyl)-N',2-dimethylpropane-1,3-diamine

C12H22N2O — CID 62260161

IUPAC2-ethyl-N'-(furan-3-ylmethyl)-N',2-dimethylpropane-1,3-diamine
SMILESCCC(C)(CN)CN(C)Cc1ccoc1
InChIInChI=1S/C12H22N2O/c1-4-12(2,9-13)10-14(3)7-11-5-6-15-8-11/h5-6,8H,4,7,9-10,13H2,1-3H3
InChIKeyZIISWWDFJSAPSD-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.09
Rot. Bonds6

About 2-ethyl-N'-(furan-3-ylmethyl)-N',2-dimethylpropane-1,3-diamine

2-ethyl-N'-(furan-3-ylmethyl)-N',2-dimethylpropane-1,3-diamine (PubChem CID 62260161) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-ethyl-N'-(furan-3-ylmethyl)-N',2-dimethylpropane-1,3-diamine.

Molecular Properties

Compound Name2-ethyl-N'-(furan-3-ylmethyl)-N',2-dimethylpropane-1,3-diamine
PubChem CID62260161
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name2-ethyl-N'-(furan-3-ylmethyl)-N',2-dimethylpropane-1,3-diamine
SMILESCCC(C)(CN)CN(C)Cc1ccoc1
InChIInChI=1S/C12H22N2O/c1-4-12(2,9-13)10-14(3)7-11-5-6-15-8-11/h5-6,8H,4,7,9-10,13H2,1-3H3
InChIKeyZIISWWDFJSAPSD-UHFFFAOYSA-N
XLogP2.09
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-ethyl-N'-(furan-3-ylmethyl)-N',2-dimethylpropane-1,3-diamine
CID 62259472
2-ethyl-2-N-(furan-3-ylmethyl)-2-N-methylbutane-1,2-diamine
CID 61422931
3-[furan-3-ylmethyl(methyl)amino]-2,2-dimethylpropanal
CID 62275696
2-ethyl-2-[[furan-3-ylmethyl(methyl)amino]methyl]butanoic acid
CID 62271233
[5-[[furan-3-ylmethyl(methyl)amino]methyl]thiophen-2-yl]methanamine
CID 107556500
1-[furan-3-ylmethyl(methyl)amino]propan-2-ol
CID 61422954
(2S)-1-[furan-3-ylmethyl(methyl)amino]propan-2-ol
CID 106932749
1-[[furan-3-ylmethyl(methyl)amino]methyl]cyclopropan-1-amine
CID 65458432
3-N-(furan-3-ylmethyl)-3-N-methylbutane-1,3-diamine
CID 61421973
N-tert-butyl-N'-(furan-3-ylmethyl)-N'-methylbutane-1,4-diamine
CID 55072235
3-chloro-N-(furan-3-ylmethyl)-N-methylpropan-1-amine
CID 61422654
4-[[furan-3-ylmethyl(methyl)amino]methyl]benzoic acid
CID 61422241

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N'-(furan-3-ylmethyl)-N',2-dimethylpropane-1,3-diamine?
The IUPAC name of 2-ethyl-N'-(furan-3-ylmethyl)-N',2-dimethylpropane-1,3-diamine (CID 62260161) is 2-ethyl-N'-(furan-3-ylmethyl)-N',2-dimethylpropane-1,3-diamine.
What is the SMILES notation for 2-ethyl-N'-(furan-3-ylmethyl)-N',2-dimethylpropane-1,3-diamine?
The canonical SMILES for 2-ethyl-N'-(furan-3-ylmethyl)-N',2-dimethylpropane-1,3-diamine is CCC(C)(CN)CN(C)Cc1ccoc1.
What is the InChIKey of 2-ethyl-N'-(furan-3-ylmethyl)-N',2-dimethylpropane-1,3-diamine?
The InChIKey is ZIISWWDFJSAPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-4-12(2,9-13)10-14(3)7-11-5-6-15-8-11/h5-6,8H,4,7,9-10,13H2,1-3H3.
What are the key properties of 2-ethyl-N'-(furan-3-ylmethyl)-N',2-dimethylpropane-1,3-diamine?
2-ethyl-N'-(furan-3-ylmethyl)-N',2-dimethylpropane-1,3-diamine has a molecular weight of 210.32 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N'-(furan-3-ylmethyl)-N',2-dimethylpropane-1,3-diamine is sourced from PubChem (CID 62260161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).