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

C17H25N3O — CID 62432328

IUPACN-[[3-methyl-5-[[methyl(pyridin-3-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1oc(CN(C)Cc2cccnc2)cc1C
InChIInChI=1S/C17H25N3O/c1-4-7-18-11-17-14(2)9-16(21-17)13-20(3)12-15-6-5-8-19-10-15/h5-6,8-10,18H,4,7,11-13H2,1-3H3
InChIKeyNOYDPVFCSIXYCE-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.11
Rot. Bonds8

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

N-[[3-methyl-5-[[methyl(pyridin-3-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine (PubChem CID 62432328) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-[[3-methyl-5-[[methyl(pyridin-3-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-methyl-5-[[methyl(pyridin-3-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine
PubChem CID62432328
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-[[3-methyl-5-[[methyl(pyridin-3-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1oc(CN(C)Cc2cccnc2)cc1C
InChIInChI=1S/C17H25N3O/c1-4-7-18-11-17-14(2)9-16(21-17)13-20(3)12-15-6-5-8-19-10-15/h5-6,8-10,18H,4,7,11-13H2,1-3H3
InChIKeyNOYDPVFCSIXYCE-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'}

Analyze N-[[3-methyl-5-[[methyl(pyridin-3-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-1-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-[[2-[[methyl(pyridin-3-ylmethyl)amino]methyl]phenyl]methyl]propan-1-amine
CID 62434151
N,2-dimethyl-N-[[4-methyl-5-(propylaminomethyl)furan-2-yl]methyl]propan-1-amine
CID 62420927
N-[[2-methyl-5-[[methyl(pyridin-3-ylmethyl)amino]methyl]furan-3-yl]methyl]propan-2-amine
CID 62431962
N-[[5-[[cyclopropylmethyl(methyl)amino]methyl]-3-methylfuran-2-yl]methyl]propan-1-amine
CID 62426395
N-[[5-[[cyclopentylmethyl(methyl)amino]methyl]-3-methylfuran-2-yl]methyl]propan-1-amine
CID 63656726
N-[[3-methyl-5-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine
CID 62426837
N-[[3-methyl-5-[[methyl(oxan-4-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine
CID 63707162
2-fluoro-N-methyl-4-(propylaminomethyl)-N-(pyridin-3-ylmethyl)aniline
CID 43563618
N-ethyl-2-[4-[[methyl(pyridin-3-ylmethyl)amino]methyl]phenyl]ethanamine
CID 105347063
N'-methyl-N-pentyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 62560428
N-[[5-[[(3-fluorophenyl)methyl-methylamino]methyl]furan-2-yl]methyl]propan-1-amine
CID 62419238
N-[[3-methyl-5-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]furan-2-yl]methyl]ethanamine
CID 63864021

Frequently Asked Questions

What is the IUPAC name of N-[[3-methyl-5-[[methyl(pyridin-3-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[3-methyl-5-[[methyl(pyridin-3-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine (CID 62432328) is N-[[3-methyl-5-[[methyl(pyridin-3-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-methyl-5-[[methyl(pyridin-3-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-methyl-5-[[methyl(pyridin-3-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine is CCCNCc1oc(CN(C)Cc2cccnc2)cc1C.
What is the InChIKey of N-[[3-methyl-5-[[methyl(pyridin-3-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine?
The InChIKey is NOYDPVFCSIXYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-4-7-18-11-17-14(2)9-16(21-17)13-20(3)12-15-6-5-8-19-10-15/h5-6,8-10,18H,4,7,11-13H2,1-3H3.
What are the key properties of N-[[3-methyl-5-[[methyl(pyridin-3-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine?
N-[[3-methyl-5-[[methyl(pyridin-3-ylmethyl)amino]methyl]furan-2-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-[[3-methyl-5-[[methyl(pyridin-3-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 62432328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).