N'-[[2-(aminomethyl)furan-3-yl]methyl]-N,N,N'-trimethylethane-1,2-diamine

C11H21N3O — CID 63725121

IUPACN'-[[2-(aminomethyl)furan-3-yl]methyl]-N,N,N'-trimethylethane-1,2-diamine
SMILESCN(C)CCN(C)Cc1ccoc1CN
InChIInChI=1S/C11H21N3O/c1-13(2)5-6-14(3)9-10-4-7-15-11(10)8-12/h4,7H,5-6,8-9,12H2,1-3H3
InChIKeyRAMNOZMEBSRKLO-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.73
Rot. Bonds6

About N'-[[2-(aminomethyl)furan-3-yl]methyl]-N,N,N'-trimethylethane-1,2-diamine

N'-[[2-(aminomethyl)furan-3-yl]methyl]-N,N,N'-trimethylethane-1,2-diamine (PubChem CID 63725121) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is N'-[[2-(aminomethyl)furan-3-yl]methyl]-N,N,N'-trimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[[2-(aminomethyl)furan-3-yl]methyl]-N,N,N'-trimethylethane-1,2-diamine
PubChem CID63725121
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC NameN'-[[2-(aminomethyl)furan-3-yl]methyl]-N,N,N'-trimethylethane-1,2-diamine
SMILESCN(C)CCN(C)Cc1ccoc1CN
InChIInChI=1S/C11H21N3O/c1-13(2)5-6-14(3)9-10-4-7-15-11(10)8-12/h4,7H,5-6,8-9,12H2,1-3H3
InChIKeyRAMNOZMEBSRKLO-UHFFFAOYSA-N
XLogP0.73
TPSA45.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-[[2-(aminomethyl)furan-3-yl]methyl]-N,N,N'-trimethylethane-1,2-diamine?
The IUPAC name of N'-[[2-(aminomethyl)furan-3-yl]methyl]-N,N,N'-trimethylethane-1,2-diamine (CID 63725121) is N'-[[2-(aminomethyl)furan-3-yl]methyl]-N,N,N'-trimethylethane-1,2-diamine.
What is the SMILES notation for N'-[[2-(aminomethyl)furan-3-yl]methyl]-N,N,N'-trimethylethane-1,2-diamine?
The canonical SMILES for N'-[[2-(aminomethyl)furan-3-yl]methyl]-N,N,N'-trimethylethane-1,2-diamine is CN(C)CCN(C)Cc1ccoc1CN.
What is the InChIKey of N'-[[2-(aminomethyl)furan-3-yl]methyl]-N,N,N'-trimethylethane-1,2-diamine?
The InChIKey is RAMNOZMEBSRKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-13(2)5-6-14(3)9-10-4-7-15-11(10)8-12/h4,7H,5-6,8-9,12H2,1-3H3.
What are the key properties of N'-[[2-(aminomethyl)furan-3-yl]methyl]-N,N,N'-trimethylethane-1,2-diamine?
N'-[[2-(aminomethyl)furan-3-yl]methyl]-N,N,N'-trimethylethane-1,2-diamine has a molecular weight of 211.31 g/mol, XLogP of 0.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[2-(aminomethyl)furan-3-yl]methyl]-N,N,N'-trimethylethane-1,2-diamine is sourced from PubChem (CID 63725121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).