1-(furan-3-yl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethane-1,2-diamine

C13H18N2O2 — CID 63208203

IUPAC1-(furan-3-yl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethane-1,2-diamine
SMILESCc1occc1CN(C)C(CN)c1ccoc1
InChIInChI=1S/C13H18N2O2/c1-10-11(4-6-17-10)8-15(2)13(7-14)12-3-5-16-9-12/h3-6,9,13H,7-8,14H2,1-2H3
InChIKeyBRFLPOMUTWZHKP-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.31
Rot. Bonds5

About 1-(furan-3-yl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethane-1,2-diamine

1-(furan-3-yl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethane-1,2-diamine (PubChem CID 63208203) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-(furan-3-yl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound Name1-(furan-3-yl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethane-1,2-diamine
PubChem CID63208203
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name1-(furan-3-yl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethane-1,2-diamine
SMILESCc1occc1CN(C)C(CN)c1ccoc1
InChIInChI=1S/C13H18N2O2/c1-10-11(4-6-17-10)8-15(2)13(7-14)12-3-5-16-9-12/h3-6,9,13H,7-8,14H2,1-2H3
InChIKeyBRFLPOMUTWZHKP-UHFFFAOYSA-N
XLogP2.31
TPSA55.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.31
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-methyl-N-[(2-methylfuran-3-yl)methyl]ethane-1,2-diamine?
The IUPAC name of 1-(furan-3-yl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethane-1,2-diamine (CID 63208203) is 1-(furan-3-yl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for 1-(furan-3-yl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for 1-(furan-3-yl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethane-1,2-diamine is Cc1occc1CN(C)C(CN)c1ccoc1.
What is the InChIKey of 1-(furan-3-yl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethane-1,2-diamine?
The InChIKey is BRFLPOMUTWZHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-10-11(4-6-17-10)8-15(2)13(7-14)12-3-5-16-9-12/h3-6,9,13H,7-8,14H2,1-2H3.
What are the key properties of 1-(furan-3-yl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethane-1,2-diamine?
1-(furan-3-yl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethane-1,2-diamine has a molecular weight of 234.30 g/mol, XLogP of 2.31, 5 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-methyl-N-[(2-methylfuran-3-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 63208203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).