N-[[3-(aminomethyl)furan-2-yl]methyl]-N-(cyclobutylmethyl)ethanamine

C13H22N2O — CID 107401977

IUPACN-[[3-(aminomethyl)furan-2-yl]methyl]-N-(cyclobutylmethyl)ethanamine
SMILESCCN(Cc1occc1CN)CC1CCC1
InChIInChI=1S/C13H22N2O/c1-2-15(9-11-4-3-5-11)10-13-12(8-14)6-7-16-13/h6-7,11H,2-5,8-10,14H2,1H3
InChIKeyXWKUQKAARRIQBH-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.36
Rot. Bonds6

About N-[[3-(aminomethyl)furan-2-yl]methyl]-N-(cyclobutylmethyl)ethanamine

N-[[3-(aminomethyl)furan-2-yl]methyl]-N-(cyclobutylmethyl)ethanamine (PubChem CID 107401977) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-[[3-(aminomethyl)furan-2-yl]methyl]-N-(cyclobutylmethyl)ethanamine.

Molecular Properties

Compound NameN-[[3-(aminomethyl)furan-2-yl]methyl]-N-(cyclobutylmethyl)ethanamine
PubChem CID107401977
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-[[3-(aminomethyl)furan-2-yl]methyl]-N-(cyclobutylmethyl)ethanamine
SMILESCCN(Cc1occc1CN)CC1CCC1
InChIInChI=1S/C13H22N2O/c1-2-15(9-11-4-3-5-11)10-13-12(8-14)6-7-16-13/h6-7,11H,2-5,8-10,14H2,1H3
InChIKeyXWKUQKAARRIQBH-UHFFFAOYSA-N
XLogP2.36
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[3-(aminomethyl)furan-2-yl]methyl]-N-(cyclobutylmethyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-[[cyclobutylmethyl(ethyl)amino]methyl]furan-3-yl]methyl]-2-methylpropan-2-amine
CID 107402009
N-[[3-(aminomethyl)furan-2-yl]methyl]-N-methylcyclopentanamine
CID 62419086
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,1-dimethylpiperidin-4-amine
CID 62424649
N-[[2-[[cyclobutylmethyl(methyl)amino]methyl]furan-3-yl]methyl]cyclopropanamine
CID 62854572
N-[[3-(aminomethyl)furan-2-yl]methyl]-N-methylbutan-2-amine
CID 62419080
7-[[cyclobutylmethyl(ethyl)amino]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 107397347
N-[[3-(aminomethyl)furan-2-yl]methyl]-N-ethyl-4-methylaniline
CID 62435508
N-(cyclopropylmethyl)-N-[[2-[(propan-2-ylamino)methyl]furan-3-yl]methyl]propan-1-amine
CID 55073889
N-[[2-[[ethyl(propyl)amino]methyl]furan-3-yl]methyl]cyclopropanamine
CID 62421778
4-[[cyclohexylmethyl(ethyl)amino]methyl]aniline
CID 43383869

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)furan-2-yl]methyl]-N-(cyclobutylmethyl)ethanamine?
The IUPAC name of N-[[3-(aminomethyl)furan-2-yl]methyl]-N-(cyclobutylmethyl)ethanamine (CID 107401977) is N-[[3-(aminomethyl)furan-2-yl]methyl]-N-(cyclobutylmethyl)ethanamine.
What is the SMILES notation for N-[[3-(aminomethyl)furan-2-yl]methyl]-N-(cyclobutylmethyl)ethanamine?
The canonical SMILES for N-[[3-(aminomethyl)furan-2-yl]methyl]-N-(cyclobutylmethyl)ethanamine is CCN(Cc1occc1CN)CC1CCC1.
What is the InChIKey of N-[[3-(aminomethyl)furan-2-yl]methyl]-N-(cyclobutylmethyl)ethanamine?
The InChIKey is XWKUQKAARRIQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-2-15(9-11-4-3-5-11)10-13-12(8-14)6-7-16-13/h6-7,11H,2-5,8-10,14H2,1H3.
What are the key properties of N-[[3-(aminomethyl)furan-2-yl]methyl]-N-(cyclobutylmethyl)ethanamine?
N-[[3-(aminomethyl)furan-2-yl]methyl]-N-(cyclobutylmethyl)ethanamine has a molecular weight of 222.33 g/mol, XLogP of 2.36, 6 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-(cyclobutylmethyl)ethanamine is sourced from PubChem (CID 107401977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).