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

C17H26N2O2 — CID 62420974

IUPACN-[[2-methyl-5-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-3-yl]methyl]propan-1-amine
SMILESCCCNCc1cc(CN(C)Cc2ccc(C)o2)oc1C
InChIInChI=1S/C17H26N2O2/c1-5-8-18-10-15-9-17(21-14(15)3)12-19(4)11-16-7-6-13(2)20-16/h6-7,9,18H,5,8,10-12H2,1-4H3
InChIKeyPMHSISZTDKTPPK-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.62
Rot. Bonds8

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

N-[[2-methyl-5-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-3-yl]methyl]propan-1-amine (PubChem CID 62420974) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[[2-methyl-5-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-methyl-5-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-3-yl]methyl]propan-1-amine
PubChem CID62420974
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-[[2-methyl-5-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-3-yl]methyl]propan-1-amine
SMILESCCCNCc1cc(CN(C)Cc2ccc(C)o2)oc1C
InChIInChI=1S/C17H26N2O2/c1-5-8-18-10-15-9-17(21-14(15)3)12-19(4)11-16-7-6-13(2)20-16/h6-7,9,18H,5,8,10-12H2,1-4H3
InChIKeyPMHSISZTDKTPPK-UHFFFAOYSA-N
XLogP3.62
TPSA41.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.62
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-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-3-yl]methyl]propan-1-amine with MolForge

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Related Compounds

N-[[2-methyl-5-[[methyl(pyridin-2-ylmethyl)amino]methyl]furan-3-yl]methyl]propan-1-amine
CID 62431761
N-methyl-N-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]cyclopropanamine
CID 62417408
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(propylaminomethyl)aniline
CID 43526465
N-[[5-methyl-4-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-2-yl]methyl]propan-2-amine
CID 62420025
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
N-[[2-methyl-5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]furan-3-yl]methyl]propan-1-amine
CID 81068577
N,N-dimethyl-N'-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]-N'-propylethane-1,2-diamine
CID 62436880
N-[[2-methyl-5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]furan-3-yl]methyl]ethanamine
CID 62419219
N,3-dimethyl-N-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]butan-2-amine
CID 55075046
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

Frequently Asked Questions

What is the IUPAC name of N-[[2-methyl-5-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-methyl-5-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-3-yl]methyl]propan-1-amine (CID 62420974) is N-[[2-methyl-5-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-methyl-5-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-methyl-5-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-3-yl]methyl]propan-1-amine is CCCNCc1cc(CN(C)Cc2ccc(C)o2)oc1C.
What is the InChIKey of N-[[2-methyl-5-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-3-yl]methyl]propan-1-amine?
The InChIKey is PMHSISZTDKTPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-5-8-18-10-15-9-17(21-14(15)3)12-19(4)11-16-7-6-13(2)20-16/h6-7,9,18H,5,8,10-12H2,1-4H3.
What are the key properties of N-[[2-methyl-5-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-3-yl]methyl]propan-1-amine?
N-[[2-methyl-5-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-3-yl]methyl]propan-1-amine has a molecular weight of 290.41 g/mol, XLogP of 3.62, 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-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 62420974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).