1-(furan-2-yl)-N-methyl-N-(oxan-4-yl)ethane-1,2-diamine

C12H20N2O2 — CID 43610896

IUPAC1-(furan-2-yl)-N-methyl-N-(oxan-4-yl)ethane-1,2-diamine
SMILESCN(C1CCOCC1)C(CN)c1ccco1
InChIInChI=1S/C12H20N2O2/c1-14(10-4-7-15-8-5-10)11(9-13)12-3-2-6-16-12/h2-3,6,10-11H,4-5,7-9,13H2,1H3
InChIKeyOEJKXYRVDZJCCM-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.39
Rot. Bonds4

About 1-(furan-2-yl)-N-methyl-N-(oxan-4-yl)ethane-1,2-diamine

1-(furan-2-yl)-N-methyl-N-(oxan-4-yl)ethane-1,2-diamine (PubChem CID 43610896) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-methyl-N-(oxan-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(furan-2-yl)-N-methyl-N-(oxan-4-yl)ethane-1,2-diamine
PubChem CID43610896
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name1-(furan-2-yl)-N-methyl-N-(oxan-4-yl)ethane-1,2-diamine
SMILESCN(C1CCOCC1)C(CN)c1ccco1
InChIInChI=1S/C12H20N2O2/c1-14(10-4-7-15-8-5-10)11(9-13)12-3-2-6-16-12/h2-3,6,10-11H,4-5,7-9,13H2,1H3
InChIKeyOEJKXYRVDZJCCM-UHFFFAOYSA-N
XLogP1.39
TPSA51.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-methyl-N-(oxan-4-yl)ethane-1,2-diamine?
The IUPAC name of 1-(furan-2-yl)-N-methyl-N-(oxan-4-yl)ethane-1,2-diamine (CID 43610896) is 1-(furan-2-yl)-N-methyl-N-(oxan-4-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-(furan-2-yl)-N-methyl-N-(oxan-4-yl)ethane-1,2-diamine?
The canonical SMILES for 1-(furan-2-yl)-N-methyl-N-(oxan-4-yl)ethane-1,2-diamine is CN(C1CCOCC1)C(CN)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-N-methyl-N-(oxan-4-yl)ethane-1,2-diamine?
The InChIKey is OEJKXYRVDZJCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-14(10-4-7-15-8-5-10)11(9-13)12-3-2-6-16-12/h2-3,6,10-11H,4-5,7-9,13H2,1H3.
What are the key properties of 1-(furan-2-yl)-N-methyl-N-(oxan-4-yl)ethane-1,2-diamine?
1-(furan-2-yl)-N-methyl-N-(oxan-4-yl)ethane-1,2-diamine has a molecular weight of 224.30 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N-methyl-N-(oxan-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 43610896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).