N-[[2-methyl-5-[[methyl(pyridin-2-ylmethyl)amino]methyl]furan-3-yl]methyl]propan-1-amine

C17H25N3O — CID 62431761

IUPACN-[[2-methyl-5-[[methyl(pyridin-2-ylmethyl)amino]methyl]furan-3-yl]methyl]propan-1-amine
SMILESCCCNCc1cc(CN(C)Cc2ccccn2)oc1C
InChIInChI=1S/C17H25N3O/c1-4-8-18-11-15-10-17(21-14(15)2)13-20(3)12-16-7-5-6-9-19-16/h5-7,9-10,18H,4,8,11-13H2,1-3H3
InChIKeyLOLVZFYFBUZOLC-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.11
Rot. Bonds8

About N-[[2-methyl-5-[[methyl(pyridin-2-ylmethyl)amino]methyl]furan-3-yl]methyl]propan-1-amine

N-[[2-methyl-5-[[methyl(pyridin-2-ylmethyl)amino]methyl]furan-3-yl]methyl]propan-1-amine (PubChem CID 62431761) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-[[2-methyl-5-[[methyl(pyridin-2-ylmethyl)amino]methyl]furan-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-methyl-5-[[methyl(pyridin-2-ylmethyl)amino]methyl]furan-3-yl]methyl]propan-1-amine
PubChem CID62431761
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-[[2-methyl-5-[[methyl(pyridin-2-ylmethyl)amino]methyl]furan-3-yl]methyl]propan-1-amine
SMILESCCCNCc1cc(CN(C)Cc2ccccn2)oc1C
InChIInChI=1S/C17H25N3O/c1-4-8-18-11-15-10-17(21-14(15)2)13-20(3)12-16-7-5-6-9-19-16/h5-7,9-10,18H,4,8,11-13H2,1-3H3
InChIKeyLOLVZFYFBUZOLC-UHFFFAOYSA-N
XLogP3.11
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[5-[[methyl(pyridin-2-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine
CID 62431944
N-[[2-methyl-5-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-3-yl]methyl]propan-1-amine
CID 62420974
N-[[5-[[methyl(pyridin-2-ylmethyl)amino]methyl]thiophen-2-yl]methyl]propan-1-amine
CID 107555954
4-fluoro-N-methyl-2-(propylaminomethyl)-N-(pyridin-2-ylmethyl)aniline
CID 43565214
N-methyl-3-(propylaminomethyl)-N-(pyridin-2-ylmethyl)pyridin-2-amine
CID 62283787
N-methyl-N-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]cyclopropanamine
CID 62417408
4-fluoro-N-methyl-N-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]aniline
CID 62436050
N-[[5-[[(4-fluorophenyl)methyl-methylamino]methyl]-2-methylfuran-3-yl]methyl]ethanamine
CID 62411119
2-fluoro-N-methyl-4-(propylaminomethyl)-N-(pyridin-2-ylmethyl)aniline
CID 43565230
N-methyl-N-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]aniline
CID 62437385
N-methyl-N-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]cyclopentanamine
CID 62417950
N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]-N-methylpropan-1-amine
CID 62417372

Frequently Asked Questions

What is the IUPAC name of N-[[2-methyl-5-[[methyl(pyridin-2-ylmethyl)amino]methyl]furan-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-methyl-5-[[methyl(pyridin-2-ylmethyl)amino]methyl]furan-3-yl]methyl]propan-1-amine (CID 62431761) is N-[[2-methyl-5-[[methyl(pyridin-2-ylmethyl)amino]methyl]furan-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-methyl-5-[[methyl(pyridin-2-ylmethyl)amino]methyl]furan-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-methyl-5-[[methyl(pyridin-2-ylmethyl)amino]methyl]furan-3-yl]methyl]propan-1-amine is CCCNCc1cc(CN(C)Cc2ccccn2)oc1C.
What is the InChIKey of N-[[2-methyl-5-[[methyl(pyridin-2-ylmethyl)amino]methyl]furan-3-yl]methyl]propan-1-amine?
The InChIKey is LOLVZFYFBUZOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-4-8-18-11-15-10-17(21-14(15)2)13-20(3)12-16-7-5-6-9-19-16/h5-7,9-10,18H,4,8,11-13H2,1-3H3.
What are the key properties of N-[[2-methyl-5-[[methyl(pyridin-2-ylmethyl)amino]methyl]furan-3-yl]methyl]propan-1-amine?
N-[[2-methyl-5-[[methyl(pyridin-2-ylmethyl)amino]methyl]furan-3-yl]methyl]propan-1-amine has a molecular weight of 287.41 g/mol, XLogP of 3.11, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methyl-5-[[methyl(pyridin-2-ylmethyl)amino]methyl]furan-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 62431761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).