N-ethyl-1-methoxy-N-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]propan-2-amine

C16H30N2O2 — CID 62426691

IUPACN-ethyl-1-methoxy-N-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]propan-2-amine
SMILESCCCNCc1cc(CN(CC)C(C)COC)oc1C
InChIInChI=1S/C16H30N2O2/c1-6-8-17-10-15-9-16(20-14(15)4)11-18(7-2)13(3)12-19-5/h9,13,17H,6-8,10-12H2,1-5H3
InChIKeyCDMGSBURLHEVCS-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.94
Rot. Bonds10

About N-ethyl-1-methoxy-N-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]propan-2-amine

N-ethyl-1-methoxy-N-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]propan-2-amine (PubChem CID 62426691) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N-ethyl-1-methoxy-N-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-methoxy-N-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]propan-2-amine
PubChem CID62426691
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC NameN-ethyl-1-methoxy-N-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]propan-2-amine
SMILESCCCNCc1cc(CN(CC)C(C)COC)oc1C
InChIInChI=1S/C16H30N2O2/c1-6-8-17-10-15-9-16(20-14(15)4)11-18(7-2)13(3)12-19-5/h9,13,17H,6-8,10-12H2,1-5H3
InChIKeyCDMGSBURLHEVCS-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-ethyl-1-methoxy-N-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[[5-[[ethyl(2-methoxyethyl)amino]methyl]-2-methylfuran-3-yl]methyl]propan-1-amine
CID 62435770
N-ethyl-N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]propan-2-amine
CID 62418328
N-[[2-methyl-5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]furan-3-yl]methyl]propan-1-amine
CID 81068577
N,3-dimethyl-N-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]butan-2-amine
CID 55075046
N-[[2-methyl-5-(2-methylpentoxymethyl)furan-3-yl]methyl]propan-1-amine
CID 103285697
N-(2-methoxyethyl)-2-methyl-N-[[2-methyl-5-(propylaminomethyl)furan-3-yl]methyl]propan-1-amine
CID 62429791
N-ethyl-N-[[5-(ethylaminomethyl)furan-2-yl]methyl]-1-methoxypropan-2-amine
CID 62427043
N,N-dimethyl-N'-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]-N'-propylethane-1,2-diamine
CID 62436880
N-methyl-N-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]cyclopropanamine
CID 62417408
N-[[2-methyl-5-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-3-yl]methyl]propan-1-amine
CID 62420974
2-N-ethyl-2-N-[[5-(ethylaminomethyl)-2-methylfuran-3-yl]methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 103191733
N-methyl-N-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]cyclopentanamine
CID 62417950

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-methoxy-N-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]propan-2-amine?
The IUPAC name of N-ethyl-1-methoxy-N-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]propan-2-amine (CID 62426691) is N-ethyl-1-methoxy-N-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-ethyl-1-methoxy-N-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-ethyl-1-methoxy-N-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]propan-2-amine is CCCNCc1cc(CN(CC)C(C)COC)oc1C.
What is the InChIKey of N-ethyl-1-methoxy-N-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]propan-2-amine?
The InChIKey is CDMGSBURLHEVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-6-8-17-10-15-9-16(20-14(15)4)11-18(7-2)13(3)12-19-5/h9,13,17H,6-8,10-12H2,1-5H3.
What are the key properties of N-ethyl-1-methoxy-N-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]propan-2-amine?
N-ethyl-1-methoxy-N-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]propan-2-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-ethyl-1-methoxy-N-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 62426691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).