N-[(2,5-dimethylfuran-3-yl)methyl]-N-methyl-1-pyridin-4-ylmethanamine

C14H18N2O — CID 86815152

IUPACN-[(2,5-dimethylfuran-3-yl)methyl]-N-methyl-1-pyridin-4-ylmethanamine
SMILESCc1cc(CN(C)Cc2ccncc2)c(C)o1
InChIInChI=1S/C14H18N2O/c1-11-8-14(12(2)17-11)10-16(3)9-13-4-6-15-7-5-13/h4-8H,9-10H2,1-3H3
InChIKeyZQIVIBQXSBTZDU-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.92
Rot. Bonds4

About N-[(2,5-dimethylfuran-3-yl)methyl]-N-methyl-1-pyridin-4-ylmethanamine

N-[(2,5-dimethylfuran-3-yl)methyl]-N-methyl-1-pyridin-4-ylmethanamine (PubChem CID 86815152) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is N-[(2,5-dimethylfuran-3-yl)methyl]-N-methyl-1-pyridin-4-ylmethanamine.

Molecular Properties

Compound NameN-[(2,5-dimethylfuran-3-yl)methyl]-N-methyl-1-pyridin-4-ylmethanamine
PubChem CID86815152
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC NameN-[(2,5-dimethylfuran-3-yl)methyl]-N-methyl-1-pyridin-4-ylmethanamine
SMILESCc1cc(CN(C)Cc2ccncc2)c(C)o1
InChIInChI=1S/C14H18N2O/c1-11-8-14(12(2)17-11)10-16(3)9-13-4-6-15-7-5-13/h4-8H,9-10H2,1-3H3
InChIKeyZQIVIBQXSBTZDU-UHFFFAOYSA-N
XLogP2.92
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[5-methyl-4-[[methyl(pyridin-4-ylmethyl)amino]methyl]furan-2-yl]methanamine
CID 62432735
N-[[5-methyl-4-[[methyl(pyridin-4-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-2-amine
CID 62432383
[5-methyl-4-[[methyl(pyridin-4-ylmethyl)amino]methyl]thiophen-2-yl]methanamine
CID 80728285
2-[[methyl(pyridin-4-ylmethyl)amino]methyl]aniline
CID 43458561
7-[[methyl(pyridin-4-ylmethyl)amino]methyl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 43563899
2-methyl-3-[[methyl(pyridin-4-ylmethyl)amino]methyl]aniline
CID 43563884
N-(chloromethyl)-N-methyl-1-pyridin-4-ylmethanamine
CID 115263261
N-[[5-methyl-4-[[methyl(pyridin-4-ylmethyl)amino]methyl]thiophen-2-yl]methyl]propan-2-amine
CID 80720176
5-methyl-4-[[methyl-[(4-methylphenyl)methyl]amino]methyl]furan-2-carboxylic acid
CID 62274485
3-[[methyl(pyridin-4-ylmethyl)amino]methyl]pyridine-2-carboxylic acid
CID 63068120
1-[4-fluoro-3-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]-N-methylmethanamine
CID 107454369
N-methyl-N-[[6-[[methyl(pyridin-4-ylmethyl)amino]methyl]-2-pyridinyl]methyl]-1-pyridin-4-ylmethanamine
CID 137379420

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylfuran-3-yl)methyl]-N-methyl-1-pyridin-4-ylmethanamine?
The IUPAC name of N-[(2,5-dimethylfuran-3-yl)methyl]-N-methyl-1-pyridin-4-ylmethanamine (CID 86815152) is N-[(2,5-dimethylfuran-3-yl)methyl]-N-methyl-1-pyridin-4-ylmethanamine.
What is the SMILES notation for N-[(2,5-dimethylfuran-3-yl)methyl]-N-methyl-1-pyridin-4-ylmethanamine?
The canonical SMILES for N-[(2,5-dimethylfuran-3-yl)methyl]-N-methyl-1-pyridin-4-ylmethanamine is Cc1cc(CN(C)Cc2ccncc2)c(C)o1.
What is the InChIKey of N-[(2,5-dimethylfuran-3-yl)methyl]-N-methyl-1-pyridin-4-ylmethanamine?
The InChIKey is ZQIVIBQXSBTZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-11-8-14(12(2)17-11)10-16(3)9-13-4-6-15-7-5-13/h4-8H,9-10H2,1-3H3.
What are the key properties of N-[(2,5-dimethylfuran-3-yl)methyl]-N-methyl-1-pyridin-4-ylmethanamine?
N-[(2,5-dimethylfuran-3-yl)methyl]-N-methyl-1-pyridin-4-ylmethanamine has a molecular weight of 230.31 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylfuran-3-yl)methyl]-N-methyl-1-pyridin-4-ylmethanamine is sourced from PubChem (CID 86815152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).