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

C12H22N2O — CID 61422931

IUPAC2-ethyl-2-N-(furan-3-ylmethyl)-2-N-methylbutane-1,2-diamine
SMILESCCC(CC)(CN)N(C)Cc1ccoc1
InChIInChI=1S/C12H22N2O/c1-4-12(5-2,10-13)14(3)8-11-6-7-15-9-11/h6-7,9H,4-5,8,10,13H2,1-3H3
InChIKeyGTRKNKWNEBVPGK-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.23
Rot. Bonds6

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

2-ethyl-2-N-(furan-3-ylmethyl)-2-N-methylbutane-1,2-diamine (PubChem CID 61422931) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-ethyl-2-N-(furan-3-ylmethyl)-2-N-methylbutane-1,2-diamine.

Molecular Properties

Compound Name2-ethyl-2-N-(furan-3-ylmethyl)-2-N-methylbutane-1,2-diamine
PubChem CID61422931
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name2-ethyl-2-N-(furan-3-ylmethyl)-2-N-methylbutane-1,2-diamine
SMILESCCC(CC)(CN)N(C)Cc1ccoc1
InChIInChI=1S/C12H22N2O/c1-4-12(5-2,10-13)14(3)8-11-6-7-15-9-11/h6-7,9H,4-5,8,10,13H2,1-3H3
InChIKeyGTRKNKWNEBVPGK-UHFFFAOYSA-N
XLogP2.23
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 ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-N'-(furan-3-ylmethyl)-N',2-dimethylpropane-1,3-diamine
CID 62260161
2-N-benzyl-2-ethyl-2-N-methylbutane-1,2-diamine
CID 24700955
2-N-[(3,4-dimethylphenyl)methyl]-2-ethyl-2-N-methylbutane-1,2-diamine
CID 62010595
2-N-[(3-chlorophenyl)methyl]-2-ethyl-2-N-methylbutane-1,2-diamine
CID 61413520
2-ethyl-2-N-[(3-fluorophenyl)methyl]-2-N-methylbutane-1,2-diamine
CID 28802156
2-[furan-3-ylmethyl(methyl)amino]-2-methylpropanoic acid
CID 61426806
3-N-(furan-3-ylmethyl)-3-N-methylbutane-1,3-diamine
CID 61421973
2-ethyl-1-(furan-3-ylmethyl)-1-methylguanidine
CID 62379462
3-(3-fluorophenyl)-2-N-(furan-3-ylmethyl)-2-N,2-dimethylpropane-1,2-diamine
CID 114831179
2-ethyl-2-N-methyl-2-N-(pyrimidin-2-ylmethyl)butane-1,2-diamine
CID 62698957
N',N'-bis(furan-3-ylmethyl)ethane-1,2-diamine
CID 67959325
1-cyclopentyl-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine
CID 62071760

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-N-(furan-3-ylmethyl)-2-N-methylbutane-1,2-diamine?
The IUPAC name of 2-ethyl-2-N-(furan-3-ylmethyl)-2-N-methylbutane-1,2-diamine (CID 61422931) is 2-ethyl-2-N-(furan-3-ylmethyl)-2-N-methylbutane-1,2-diamine.
What is the SMILES notation for 2-ethyl-2-N-(furan-3-ylmethyl)-2-N-methylbutane-1,2-diamine?
The canonical SMILES for 2-ethyl-2-N-(furan-3-ylmethyl)-2-N-methylbutane-1,2-diamine is CCC(CC)(CN)N(C)Cc1ccoc1.
What is the InChIKey of 2-ethyl-2-N-(furan-3-ylmethyl)-2-N-methylbutane-1,2-diamine?
The InChIKey is GTRKNKWNEBVPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-4-12(5-2,10-13)14(3)8-11-6-7-15-9-11/h6-7,9H,4-5,8,10,13H2,1-3H3.
What are the key properties of 2-ethyl-2-N-(furan-3-ylmethyl)-2-N-methylbutane-1,2-diamine?
2-ethyl-2-N-(furan-3-ylmethyl)-2-N-methylbutane-1,2-diamine has a molecular weight of 210.32 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-N-(furan-3-ylmethyl)-2-N-methylbutane-1,2-diamine is sourced from PubChem (CID 61422931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).