[5-methyl-4-[[methyl(pyridin-4-ylmethyl)amino]methyl]furan-2-yl]methanamine

C14H19N3O — CID 62432735

IUPAC[5-methyl-4-[[methyl(pyridin-4-ylmethyl)amino]methyl]furan-2-yl]methanamine
SMILESCc1oc(CN)cc1CN(C)Cc1ccncc1
InChIInChI=1S/C14H19N3O/c1-11-13(7-14(8-15)18-11)10-17(2)9-12-3-5-16-6-4-12/h3-7H,8-10,15H2,1-2H3
InChIKeyKBECCZRUKNVDAQ-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.07
Rot. Bonds5

About [5-methyl-4-[[methyl(pyridin-4-ylmethyl)amino]methyl]furan-2-yl]methanamine

[5-methyl-4-[[methyl(pyridin-4-ylmethyl)amino]methyl]furan-2-yl]methanamine (PubChem CID 62432735) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is [5-methyl-4-[[methyl(pyridin-4-ylmethyl)amino]methyl]furan-2-yl]methanamine.

Molecular Properties

Compound Name[5-methyl-4-[[methyl(pyridin-4-ylmethyl)amino]methyl]furan-2-yl]methanamine
PubChem CID62432735
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name[5-methyl-4-[[methyl(pyridin-4-ylmethyl)amino]methyl]furan-2-yl]methanamine
SMILESCc1oc(CN)cc1CN(C)Cc1ccncc1
InChIInChI=1S/C14H19N3O/c1-11-13(7-14(8-15)18-11)10-17(2)9-12-3-5-16-6-4-12/h3-7H,8-10,15H2,1-2H3
InChIKeyKBECCZRUKNVDAQ-UHFFFAOYSA-N
XLogP2.07
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,5-dimethylfuran-3-yl)methyl]-N-methyl-1-pyridin-4-ylmethanamine
CID 86815152
N-[[5-methyl-4-[[methyl(pyridin-4-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-2-amine
CID 62432383
N-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-2,2,2-trifluoro-N-methylethanamine
CID 62427968
[5-methyl-4-[[methyl(pyridin-4-ylmethyl)amino]methyl]thiophen-2-yl]methanamine
CID 80728285
[5-methyl-4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]furan-2-yl]methanamine
CID 62428436
2-[[methyl(pyridin-4-ylmethyl)amino]methyl]aniline
CID 43458561
2-methyl-3-[[methyl(pyridin-4-ylmethyl)amino]methyl]aniline
CID 43563884
7-[[methyl(pyridin-4-ylmethyl)amino]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 43563899
N-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N-methylcycloheptanamine
CID 62434217
N-[[5-methyl-4-[[methyl-[(4-methylphenyl)methyl]amino]methyl]furan-2-yl]methyl]ethanamine
CID 62419799
N-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N,3-dimethylaniline
CID 62435677
N-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N,4-dimethylcyclohexan-1-amine
CID 55069371

Frequently Asked Questions

What is the IUPAC name of [5-methyl-4-[[methyl(pyridin-4-ylmethyl)amino]methyl]furan-2-yl]methanamine?
The IUPAC name of [5-methyl-4-[[methyl(pyridin-4-ylmethyl)amino]methyl]furan-2-yl]methanamine (CID 62432735) is [5-methyl-4-[[methyl(pyridin-4-ylmethyl)amino]methyl]furan-2-yl]methanamine.
What is the SMILES notation for [5-methyl-4-[[methyl(pyridin-4-ylmethyl)amino]methyl]furan-2-yl]methanamine?
The canonical SMILES for [5-methyl-4-[[methyl(pyridin-4-ylmethyl)amino]methyl]furan-2-yl]methanamine is Cc1oc(CN)cc1CN(C)Cc1ccncc1.
What is the InChIKey of [5-methyl-4-[[methyl(pyridin-4-ylmethyl)amino]methyl]furan-2-yl]methanamine?
The InChIKey is KBECCZRUKNVDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-11-13(7-14(8-15)18-11)10-17(2)9-12-3-5-16-6-4-12/h3-7H,8-10,15H2,1-2H3.
What are the key properties of [5-methyl-4-[[methyl(pyridin-4-ylmethyl)amino]methyl]furan-2-yl]methanamine?
[5-methyl-4-[[methyl(pyridin-4-ylmethyl)amino]methyl]furan-2-yl]methanamine has a molecular weight of 245.33 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-4-[[methyl(pyridin-4-ylmethyl)amino]methyl]furan-2-yl]methanamine is sourced from PubChem (CID 62432735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).