1-(5-ethylfuran-2-yl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine

C12H20N2O — CID 114616165

IUPAC1-(5-ethylfuran-2-yl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine
SMILESC=C(C)CNC(CN)c1ccc(CC)o1
InChIInChI=1S/C12H20N2O/c1-4-10-5-6-12(15-10)11(7-13)14-8-9(2)3/h5-6,11,14H,2,4,7-8,13H2,1,3H3
InChIKeyKVHSQGJNKPDQRV-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.01
Rot. Bonds6

About 1-(5-ethylfuran-2-yl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine

1-(5-ethylfuran-2-yl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine (PubChem CID 114616165) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-(5-ethylfuran-2-yl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(5-ethylfuran-2-yl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine
PubChem CID114616165
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name1-(5-ethylfuran-2-yl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine
SMILESC=C(C)CNC(CN)c1ccc(CC)o1
InChIInChI=1S/C12H20N2O/c1-4-10-5-6-12(15-10)11(7-13)14-8-9(2)3/h5-6,11,14H,2,4,7-8,13H2,1,3H3
InChIKeyKVHSQGJNKPDQRV-UHFFFAOYSA-N
XLogP2.01
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-1-(5-ethylfuran-2-yl)-3-methylbut-3-en-1-amine
CID 105004038
1-(5-ethylfuran-2-yl)-3-methyl-N-propylbut-3-en-1-amine
CID 105004037
[1-(5-ethylfuran-2-yl)-3-methylidenepentyl]hydrazine
CID 105320395
1-(5-ethylfuran-2-yl)-3-methylbut-3-en-1-ol
CID 115816917
1-(3,5-dimethylphenyl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine
CID 114616122
N-(2-methylprop-2-enyl)-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 114616293
1-(3-ethyl-1-methylpyrazol-4-yl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine
CID 114616015
1-(3-fluorophenyl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine
CID 114616318
1-(3-chloro-4-fluorophenyl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine
CID 114616189
(1R)-1-(5-ethylfuran-2-yl)ethanamine
CID 55276275
1-(2-chloro-6-fluorophenyl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine
CID 114616201
N-(2-methylprop-2-enyl)-1-[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine
CID 114615991

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylfuran-2-yl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine?
The IUPAC name of 1-(5-ethylfuran-2-yl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine (CID 114616165) is 1-(5-ethylfuran-2-yl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(5-ethylfuran-2-yl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine?
The canonical SMILES for 1-(5-ethylfuran-2-yl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine is C=C(C)CNC(CN)c1ccc(CC)o1.
What is the InChIKey of 1-(5-ethylfuran-2-yl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine?
The InChIKey is KVHSQGJNKPDQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-4-10-5-6-12(15-10)11(7-13)14-8-9(2)3/h5-6,11,14H,2,4,7-8,13H2,1,3H3.
What are the key properties of 1-(5-ethylfuran-2-yl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine?
1-(5-ethylfuran-2-yl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine has a molecular weight of 208.30 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylfuran-2-yl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine is sourced from PubChem (CID 114616165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).