N-methyl-N-[[4-(methylaminomethyl)furan-2-yl]methyl]butan-2-amine

C12H22N2O — CID 62419547

IUPACN-methyl-N-[[4-(methylaminomethyl)furan-2-yl]methyl]butan-2-amine
SMILESCCC(C)N(C)Cc1cc(CNC)co1
InChIInChI=1S/C12H22N2O/c1-5-10(2)14(4)8-12-6-11(7-13-3)9-15-12/h6,9-10,13H,5,7-8H2,1-4H3
InChIKeyWHTAPSLWBSODSD-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.23
Rot. Bonds6

About N-methyl-N-[[4-(methylaminomethyl)furan-2-yl]methyl]butan-2-amine

N-methyl-N-[[4-(methylaminomethyl)furan-2-yl]methyl]butan-2-amine (PubChem CID 62419547) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N-methyl-N-[[4-(methylaminomethyl)furan-2-yl]methyl]butan-2-amine.

Molecular Properties

Compound NameN-methyl-N-[[4-(methylaminomethyl)furan-2-yl]methyl]butan-2-amine
PubChem CID62419547
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN-methyl-N-[[4-(methylaminomethyl)furan-2-yl]methyl]butan-2-amine
SMILESCCC(C)N(C)Cc1cc(CNC)co1
InChIInChI=1S/C12H22N2O/c1-5-10(2)14(4)8-12-6-11(7-13-3)9-15-12/h6,9-10,13H,5,7-8H2,1-4H3
InChIKeyWHTAPSLWBSODSD-UHFFFAOYSA-N
XLogP2.23
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-N-[[4-(methylaminomethyl)furan-2-yl]methyl]butan-2-amine 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,4-dimethyl-N-[[4-(methylaminomethyl)furan-2-yl]methyl]pentan-2-amine
CID 62463388
N-ethyl-N-[[4-(methylaminomethyl)furan-2-yl]methyl]butan-2-amine
CID 62420328
N-methyl-N-[[4-(methylaminomethyl)furan-2-yl]methyl]-1-methylsulfanylbutan-2-amine
CID 112665767
N-[[4-(ethylaminomethyl)furan-2-yl]methyl]-N-methylpentan-2-amine
CID 55074909
N-[[4-(ethylaminomethyl)furan-2-yl]methyl]-N,3-dimethylbutan-2-amine
CID 62433190
N-[[4-(methylaminomethyl)furan-2-yl]methyl]-N-prop-2-enylprop-2-en-1-amine
CID 62438809
N-[[4-[(tert-butylamino)methyl]furan-2-yl]methyl]-N,3,3-trimethylbutan-2-amine
CID 62426679
1-[5-[[furan-3-ylmethyl(methyl)amino]methyl]furan-3-yl]-N-methylmethanamine
CID 62462911
N-[[4-(methylaminomethyl)furan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62427375
N-methyl-1-[5-[[methyl(thiophen-2-ylmethyl)amino]methyl]furan-3-yl]methanamine
CID 62422100
N,3-dimethyl-N-[[4-(methylaminomethyl)furan-2-yl]methyl]aniline
CID 62436032
N-(2-methylpropyl)-N-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]pentan-3-amine
CID 79488811

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[4-(methylaminomethyl)furan-2-yl]methyl]butan-2-amine?
The IUPAC name of N-methyl-N-[[4-(methylaminomethyl)furan-2-yl]methyl]butan-2-amine (CID 62419547) is N-methyl-N-[[4-(methylaminomethyl)furan-2-yl]methyl]butan-2-amine.
What is the SMILES notation for N-methyl-N-[[4-(methylaminomethyl)furan-2-yl]methyl]butan-2-amine?
The canonical SMILES for N-methyl-N-[[4-(methylaminomethyl)furan-2-yl]methyl]butan-2-amine is CCC(C)N(C)Cc1cc(CNC)co1.
What is the InChIKey of N-methyl-N-[[4-(methylaminomethyl)furan-2-yl]methyl]butan-2-amine?
The InChIKey is WHTAPSLWBSODSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-5-10(2)14(4)8-12-6-11(7-13-3)9-15-12/h6,9-10,13H,5,7-8H2,1-4H3.
What are the key properties of N-methyl-N-[[4-(methylaminomethyl)furan-2-yl]methyl]butan-2-amine?
N-methyl-N-[[4-(methylaminomethyl)furan-2-yl]methyl]butan-2-amine has a molecular weight of 210.32 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[4-(methylaminomethyl)furan-2-yl]methyl]butan-2-amine is sourced from PubChem (CID 62419547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).