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

C16H30N2O2 — CID 81068577

IUPACN-[[2-methyl-5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]furan-3-yl]methyl]propan-1-amine
SMILESCCCNCc1cc(CN(C)CCOC(C)C)oc1C
InChIInChI=1S/C16H30N2O2/c1-6-7-17-11-15-10-16(20-14(15)4)12-18(5)8-9-19-13(2)3/h10,13,17H,6-9,11-12H2,1-5H3
InChIKeyGEOSGNVNVNRFNJ-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.94
Rot. Bonds10

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

N-[[2-methyl-5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]furan-3-yl]methyl]propan-1-amine (PubChem CID 81068577) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N-[[2-methyl-5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]furan-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-methyl-5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]furan-3-yl]methyl]propan-1-amine
PubChem CID81068577
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC NameN-[[2-methyl-5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]furan-3-yl]methyl]propan-1-amine
SMILESCCCNCc1cc(CN(C)CCOC(C)C)oc1C
InChIInChI=1S/C16H30N2O2/c1-6-7-17-11-15-10-16(20-14(15)4)12-18(5)8-9-19-13(2)3/h10,13,17H,6-9,11-12H2,1-5H3
InChIKeyGEOSGNVNVNRFNJ-UHFFFAOYSA-N
XLogP2.94
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[2-methyl-5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]furan-3-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-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]-N-methylpropan-1-amine
CID 62417372
N-methyl-N-[[2-methyl-5-(methylaminomethyl)furan-3-yl]methyl]-2-propan-2-yloxyethanamine
CID 81067291
N-[[5-methyl-4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]thiophen-2-yl]methyl]propan-1-amine
CID 81067740
N-[[4-[[2-ethoxyethyl(methyl)amino]methyl]-5-methylfuran-2-yl]methyl]propan-1-amine
CID 81068367
2-ethoxy-N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]-N-methylethanamine
CID 81068757
N,3-dimethyl-N-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]butan-2-amine
CID 55075046
N-[[2-methyl-5-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-3-yl]methyl]propan-1-amine
CID 62420974
N-ethyl-1-methoxy-N-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]propan-2-amine
CID 62426691
N,N-dimethyl-N'-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]-N'-propylethane-1,2-diamine
CID 62436880
N-[[5-[[ethyl(2-methoxyethyl)amino]methyl]-2-methylfuran-3-yl]methyl]propan-1-amine
CID 62435770
N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]-3-methoxy-N-methylpropan-1-amine
CID 63008490
N-[[5-[[3-methoxypropyl(methyl)amino]methyl]-2-methylfuran-3-yl]methyl]-2-methylpropan-1-amine
CID 63008846

Frequently Asked Questions

What is the IUPAC name of N-[[2-methyl-5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]furan-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-methyl-5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]furan-3-yl]methyl]propan-1-amine (CID 81068577) is N-[[2-methyl-5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]furan-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-methyl-5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]furan-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-methyl-5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]furan-3-yl]methyl]propan-1-amine is CCCNCc1cc(CN(C)CCOC(C)C)oc1C.
What is the InChIKey of N-[[2-methyl-5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]furan-3-yl]methyl]propan-1-amine?
The InChIKey is GEOSGNVNVNRFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-6-7-17-11-15-10-16(20-14(15)4)12-18(5)8-9-19-13(2)3/h10,13,17H,6-9,11-12H2,1-5H3.
What are the key properties of N-[[2-methyl-5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]furan-3-yl]methyl]propan-1-amine?
N-[[2-methyl-5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]furan-3-yl]methyl]propan-1-amine has a molecular weight of 282.43 g/mol, XLogP of 2.94, 10 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(2-propan-2-yloxyethyl)amino]methyl]furan-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 81068577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).