N-[[5-(aminomethyl)-4-methylfuran-2-yl]methyl]-1-cyclobutyl-N-methylmethanamine

C13H22N2O — CID 62856054

IUPACN-[[5-(aminomethyl)-4-methylfuran-2-yl]methyl]-1-cyclobutyl-N-methylmethanamine
SMILESCc1cc(CN(C)CC2CCC2)oc1CN
InChIInChI=1S/C13H22N2O/c1-10-6-12(16-13(10)7-14)9-15(2)8-11-4-3-5-11/h6,11H,3-5,7-9,14H2,1-2H3
InChIKeyVWWHNAKQAPFXFK-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.28
Rot. Bonds5

About N-[[5-(aminomethyl)-4-methylfuran-2-yl]methyl]-1-cyclobutyl-N-methylmethanamine

N-[[5-(aminomethyl)-4-methylfuran-2-yl]methyl]-1-cyclobutyl-N-methylmethanamine (PubChem CID 62856054) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-[[5-(aminomethyl)-4-methylfuran-2-yl]methyl]-1-cyclobutyl-N-methylmethanamine.

Molecular Properties

Compound NameN-[[5-(aminomethyl)-4-methylfuran-2-yl]methyl]-1-cyclobutyl-N-methylmethanamine
PubChem CID62856054
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-[[5-(aminomethyl)-4-methylfuran-2-yl]methyl]-1-cyclobutyl-N-methylmethanamine
SMILESCc1cc(CN(C)CC2CCC2)oc1CN
InChIInChI=1S/C13H22N2O/c1-10-6-12(16-13(10)7-14)9-15(2)8-11-4-3-5-11/h6,11H,3-5,7-9,14H2,1-2H3
InChIKeyVWWHNAKQAPFXFK-UHFFFAOYSA-N
XLogP2.28
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-[[cyclohexylmethyl(methyl)amino]methyl]-3-methylfuran-2-yl]methyl]ethanamine
CID 62411847
N-[[5-[[cyclopentylmethyl(methyl)amino]methyl]-3-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 63657143
N-[[5-[[cyclopentylmethyl(methyl)amino]methyl]-3-methylfuran-2-yl]methyl]propan-1-amine
CID 63656726
N-[[5-[[cyclopropylmethyl(methyl)amino]methyl]-3-methylfuran-2-yl]methyl]propan-1-amine
CID 62426395
N-[[5-(aminomethyl)-4-methylfuran-2-yl]methyl]-N-ethylcyclohexanamine
CID 62423925
N-[[3-methyl-5-[[methyl(oxan-4-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine
CID 63707162
N-[[5-(aminomethyl)-4-methylfuran-2-yl]methyl]-1-ethyl-N-methylpiperidin-4-amine
CID 62436351
N-[[5-(aminomethyl)-4-methylfuran-2-yl]methyl]-N-propylcyclopropanamine
CID 62422353
N-methyl-N-[[4-methyl-5-(methylaminomethyl)furan-2-yl]methyl]-1-(oxan-2-yl)methanamine
CID 62429064
N-[[4-(aminomethyl)-5-methylfuran-2-yl]methyl]-N-methyl-1-(oxolan-2-yl)methanamine
CID 62435887
[3-methyl-5-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]furan-2-yl]methanamine
CID 55144617
2-methyl-N-[[3-methyl-5-[[methyl(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-2-amine
CID 62436432

Frequently Asked Questions

What is the IUPAC name of N-[[5-(aminomethyl)-4-methylfuran-2-yl]methyl]-1-cyclobutyl-N-methylmethanamine?
The IUPAC name of N-[[5-(aminomethyl)-4-methylfuran-2-yl]methyl]-1-cyclobutyl-N-methylmethanamine (CID 62856054) is N-[[5-(aminomethyl)-4-methylfuran-2-yl]methyl]-1-cyclobutyl-N-methylmethanamine.
What is the SMILES notation for N-[[5-(aminomethyl)-4-methylfuran-2-yl]methyl]-1-cyclobutyl-N-methylmethanamine?
The canonical SMILES for N-[[5-(aminomethyl)-4-methylfuran-2-yl]methyl]-1-cyclobutyl-N-methylmethanamine is Cc1cc(CN(C)CC2CCC2)oc1CN.
What is the InChIKey of N-[[5-(aminomethyl)-4-methylfuran-2-yl]methyl]-1-cyclobutyl-N-methylmethanamine?
The InChIKey is VWWHNAKQAPFXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-10-6-12(16-13(10)7-14)9-15(2)8-11-4-3-5-11/h6,11H,3-5,7-9,14H2,1-2H3.
What are the key properties of N-[[5-(aminomethyl)-4-methylfuran-2-yl]methyl]-1-cyclobutyl-N-methylmethanamine?
N-[[5-(aminomethyl)-4-methylfuran-2-yl]methyl]-1-cyclobutyl-N-methylmethanamine has a molecular weight of 222.33 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(aminomethyl)-4-methylfuran-2-yl]methyl]-1-cyclobutyl-N-methylmethanamine is sourced from PubChem (CID 62856054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).