N-[[3-(aminomethyl)furan-2-yl]methyl]-N-methylbutan-2-amine

C11H20N2O — CID 62419080

IUPACN-[[3-(aminomethyl)furan-2-yl]methyl]-N-methylbutan-2-amine
SMILESCCC(C)N(C)Cc1occc1CN
InChIInChI=1S/C11H20N2O/c1-4-9(2)13(3)8-11-10(7-12)5-6-14-11/h5-6,9H,4,7-8,12H2,1-3H3
InChIKeyLQANGQWGPPLQAD-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.97
Rot. Bonds5

About N-[[3-(aminomethyl)furan-2-yl]methyl]-N-methylbutan-2-amine

N-[[3-(aminomethyl)furan-2-yl]methyl]-N-methylbutan-2-amine (PubChem CID 62419080) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is N-[[3-(aminomethyl)furan-2-yl]methyl]-N-methylbutan-2-amine.

Molecular Properties

Compound NameN-[[3-(aminomethyl)furan-2-yl]methyl]-N-methylbutan-2-amine
PubChem CID62419080
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC NameN-[[3-(aminomethyl)furan-2-yl]methyl]-N-methylbutan-2-amine
SMILESCCC(C)N(C)Cc1occc1CN
InChIInChI=1S/C11H20N2O/c1-4-9(2)13(3)8-11-10(7-12)5-6-14-11/h5-6,9H,4,7-8,12H2,1-3H3
InChIKeyLQANGQWGPPLQAD-UHFFFAOYSA-N
XLogP1.97
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 ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(aminomethyl)furan-2-yl]methyl]-N,2-dimethylpropan-1-amine
CID 62422966
N-methyl-N-[[2-[(propan-2-ylamino)methyl]furan-3-yl]methyl]butan-2-amine
CID 62419285
N-[[3-(aminomethyl)furan-2-yl]methyl]-N-methylcyclopentanamine
CID 62419086
N-[[2-(aminomethyl)phenyl]methyl]-N-methylbutan-2-amine
CID 43272646
[2-(2-methylpropyl)furan-3-yl]methanamine
CID 82416814
N,3-dimethyl-N-[[3-(methylaminomethyl)furan-2-yl]methyl]butan-2-amine
CID 62431751
N-[[3-(aminomethyl)furan-2-yl]methyl]-N,3,5-trimethylaniline
CID 62461981
N-[[3-(aminomethyl)furan-2-yl]methyl]-N-ethylcyclopropanamine
CID 62420146
N-[[3-(aminomethyl)furan-2-yl]methyl]-N-ethyl-2,2,2-trifluoroethanamine
CID 62428592
N-[[3-(aminomethyl)furan-2-yl]methyl]-N-ethyl-4-methylaniline
CID 62435508
N-[[2-(aminomethyl)furan-3-yl]methyl]-N-ethylpropan-2-amine
CID 62419344
N-[[3-(aminomethyl)furan-2-yl]methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 62431552

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)furan-2-yl]methyl]-N-methylbutan-2-amine?
The IUPAC name of N-[[3-(aminomethyl)furan-2-yl]methyl]-N-methylbutan-2-amine (CID 62419080) is N-[[3-(aminomethyl)furan-2-yl]methyl]-N-methylbutan-2-amine.
What is the SMILES notation for N-[[3-(aminomethyl)furan-2-yl]methyl]-N-methylbutan-2-amine?
The canonical SMILES for N-[[3-(aminomethyl)furan-2-yl]methyl]-N-methylbutan-2-amine is CCC(C)N(C)Cc1occc1CN.
What is the InChIKey of N-[[3-(aminomethyl)furan-2-yl]methyl]-N-methylbutan-2-amine?
The InChIKey is LQANGQWGPPLQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-4-9(2)13(3)8-11-10(7-12)5-6-14-11/h5-6,9H,4,7-8,12H2,1-3H3.
What are the key properties of N-[[3-(aminomethyl)furan-2-yl]methyl]-N-methylbutan-2-amine?
N-[[3-(aminomethyl)furan-2-yl]methyl]-N-methylbutan-2-amine has a molecular weight of 196.29 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)furan-2-yl]methyl]-N-methylbutan-2-amine is sourced from PubChem (CID 62419080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).