1-(furan-3-yl)-N-(1-methoxypropan-2-yl)-N-methylethane-1,2-diamine

C11H20N2O2 — CID 63208600

IUPAC1-(furan-3-yl)-N-(1-methoxypropan-2-yl)-N-methylethane-1,2-diamine
SMILESCOCC(C)N(C)C(CN)c1ccoc1
InChIInChI=1S/C11H20N2O2/c1-9(7-14-3)13(2)11(6-12)10-4-5-15-8-10/h4-5,8-9,11H,6-7,12H2,1-3H3
InChIKeyDUVMRUPMNFRYML-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.25
Rot. Bonds6

About 1-(furan-3-yl)-N-(1-methoxypropan-2-yl)-N-methylethane-1,2-diamine

1-(furan-3-yl)-N-(1-methoxypropan-2-yl)-N-methylethane-1,2-diamine (PubChem CID 63208600) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-(furan-3-yl)-N-(1-methoxypropan-2-yl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-(furan-3-yl)-N-(1-methoxypropan-2-yl)-N-methylethane-1,2-diamine
PubChem CID63208600
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name1-(furan-3-yl)-N-(1-methoxypropan-2-yl)-N-methylethane-1,2-diamine
SMILESCOCC(C)N(C)C(CN)c1ccoc1
InChIInChI=1S/C11H20N2O2/c1-9(7-14-3)13(2)11(6-12)10-4-5-15-8-10/h4-5,8-9,11H,6-7,12H2,1-3H3
InChIKeyDUVMRUPMNFRYML-UHFFFAOYSA-N
XLogP1.25
TPSA51.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-yl)-N-(1-methoxypropan-2-yl)-N-methylethane-1,2-diamine?
The IUPAC name of 1-(furan-3-yl)-N-(1-methoxypropan-2-yl)-N-methylethane-1,2-diamine (CID 63208600) is 1-(furan-3-yl)-N-(1-methoxypropan-2-yl)-N-methylethane-1,2-diamine.
What is the SMILES notation for 1-(furan-3-yl)-N-(1-methoxypropan-2-yl)-N-methylethane-1,2-diamine?
The canonical SMILES for 1-(furan-3-yl)-N-(1-methoxypropan-2-yl)-N-methylethane-1,2-diamine is COCC(C)N(C)C(CN)c1ccoc1.
What is the InChIKey of 1-(furan-3-yl)-N-(1-methoxypropan-2-yl)-N-methylethane-1,2-diamine?
The InChIKey is DUVMRUPMNFRYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-9(7-14-3)13(2)11(6-12)10-4-5-15-8-10/h4-5,8-9,11H,6-7,12H2,1-3H3.
What are the key properties of 1-(furan-3-yl)-N-(1-methoxypropan-2-yl)-N-methylethane-1,2-diamine?
1-(furan-3-yl)-N-(1-methoxypropan-2-yl)-N-methylethane-1,2-diamine has a molecular weight of 212.29 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-yl)-N-(1-methoxypropan-2-yl)-N-methylethane-1,2-diamine is sourced from PubChem (CID 63208600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).