N-[[4-(aminomethyl)furan-2-yl]methyl]-N,2-dimethylpropan-1-amine

C11H20N2O — CID 62422969

IUPACN-[[4-(aminomethyl)furan-2-yl]methyl]-N,2-dimethylpropan-1-amine
SMILESCC(C)CN(C)Cc1cc(CN)co1
InChIInChI=1S/C11H20N2O/c1-9(2)6-13(3)7-11-4-10(5-12)8-14-11/h4,8-9H,5-7,12H2,1-3H3
InChIKeyYVXAZYQZSZTFSP-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.83
Rot. Bonds5

About N-[[4-(aminomethyl)furan-2-yl]methyl]-N,2-dimethylpropan-1-amine

N-[[4-(aminomethyl)furan-2-yl]methyl]-N,2-dimethylpropan-1-amine (PubChem CID 62422969) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is N-[[4-(aminomethyl)furan-2-yl]methyl]-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound NameN-[[4-(aminomethyl)furan-2-yl]methyl]-N,2-dimethylpropan-1-amine
PubChem CID62422969
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC NameN-[[4-(aminomethyl)furan-2-yl]methyl]-N,2-dimethylpropan-1-amine
SMILESCC(C)CN(C)Cc1cc(CN)co1
InChIInChI=1S/C11H20N2O/c1-9(2)6-13(3)7-11-4-10(5-12)8-14-11/h4,8-9H,5-7,12H2,1-3H3
InChIKeyYVXAZYQZSZTFSP-UHFFFAOYSA-N
XLogP1.83
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)furan-2-yl]methyl]-N,2-dimethylpropan-1-amine?
The IUPAC name of N-[[4-(aminomethyl)furan-2-yl]methyl]-N,2-dimethylpropan-1-amine (CID 62422969) is N-[[4-(aminomethyl)furan-2-yl]methyl]-N,2-dimethylpropan-1-amine.
What is the SMILES notation for N-[[4-(aminomethyl)furan-2-yl]methyl]-N,2-dimethylpropan-1-amine?
The canonical SMILES for N-[[4-(aminomethyl)furan-2-yl]methyl]-N,2-dimethylpropan-1-amine is CC(C)CN(C)Cc1cc(CN)co1.
What is the InChIKey of N-[[4-(aminomethyl)furan-2-yl]methyl]-N,2-dimethylpropan-1-amine?
The InChIKey is YVXAZYQZSZTFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-9(2)6-13(3)7-11-4-10(5-12)8-14-11/h4,8-9H,5-7,12H2,1-3H3.
What are the key properties of N-[[4-(aminomethyl)furan-2-yl]methyl]-N,2-dimethylpropan-1-amine?
N-[[4-(aminomethyl)furan-2-yl]methyl]-N,2-dimethylpropan-1-amine has a molecular weight of 196.29 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)furan-2-yl]methyl]-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 62422969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).