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

C16H28N2O2 — CID 62429059

IUPACN-[[5-[[methyl(oxan-2-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(CN(C)CC2CCCCO2)o1
InChIInChI=1S/C16H28N2O2/c1-3-9-17-11-14-7-8-16(20-14)13-18(2)12-15-6-4-5-10-19-15/h7-8,15,17H,3-6,9-13H2,1-2H3
InChIKeyHQMDFGHWUPHRIM-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.78
Rot. Bonds8

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

N-[[5-[[methyl(oxan-2-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine (PubChem CID 62429059) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is N-[[5-[[methyl(oxan-2-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-[[methyl(oxan-2-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine
PubChem CID62429059
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC NameN-[[5-[[methyl(oxan-2-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(CN(C)CC2CCCCO2)o1
InChIInChI=1S/C16H28N2O2/c1-3-9-17-11-14-7-8-16(20-14)13-18(2)12-15-6-4-5-10-19-15/h7-8,15,17H,3-6,9-13H2,1-2H3
InChIKeyHQMDFGHWUPHRIM-UHFFFAOYSA-N
XLogP2.78
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[5-[[methyl(oxan-2-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-[[5-[[methyl(oxan-2-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62430126
N-[[5-[[methyl(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine
CID 62435538
N-methyl-N-[[4-methyl-5-(methylaminomethyl)furan-2-yl]methyl]-1-(oxan-2-yl)methanamine
CID 62429064
N-[[5-[[cyclopropylmethyl(propan-2-yl)amino]methyl]furan-2-yl]methyl]propan-1-amine
CID 62411453
N-[[5-[[cyclopentylmethyl(methyl)amino]methyl]-3-methylfuran-2-yl]methyl]propan-1-amine
CID 63656726
N-[[2-methyl-5-[[methyl(oxolan-2-ylmethyl)amino]methyl]furan-3-yl]methyl]ethanamine
CID 62435009
N-[[4-[[methyl(oxan-2-ylmethyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 62430129
N-[(5-methylfuran-2-yl)methyl]-2-(oxan-2-yl)ethanamine
CID 103992898
N'-methyl-N'-[[(2R)-oxolan-2-yl]methyl]-N-propylethane-1,2-diamine
CID 104856033
3-[[methyl(oxan-2-ylmethyl)amino]methyl]-N-propylpyridin-2-amine
CID 62469581
N,2,2-trimethyl-N-(oxan-2-ylmethyl)-N'-propylpropane-1,3-diamine
CID 62256954
N-(oxan-2-ylmethyl)propan-1-amine
CID 13288217

Frequently Asked Questions

What is the IUPAC name of N-[[5-[[methyl(oxan-2-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-[[methyl(oxan-2-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine (CID 62429059) is N-[[5-[[methyl(oxan-2-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-[[methyl(oxan-2-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-[[methyl(oxan-2-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine is CCCNCc1ccc(CN(C)CC2CCCCO2)o1.
What is the InChIKey of N-[[5-[[methyl(oxan-2-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine?
The InChIKey is HQMDFGHWUPHRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-3-9-17-11-14-7-8-16(20-14)13-18(2)12-15-6-4-5-10-19-15/h7-8,15,17H,3-6,9-13H2,1-2H3.
What are the key properties of N-[[5-[[methyl(oxan-2-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine?
N-[[5-[[methyl(oxan-2-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine has a molecular weight of 280.41 g/mol, XLogP of 2.78, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[methyl(oxan-2-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 62429059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).