N-[[4-[[3-methoxypropyl(methyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine

C16H30N2O2 — CID 63007768

IUPACN-[[4-[[3-methoxypropyl(methyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
SMILESCOCCCN(C)Cc1cc(CNC(C)(C)C)oc1C
InChIInChI=1S/C16H30N2O2/c1-13-14(12-18(5)8-7-9-19-6)10-15(20-13)11-17-16(2,3)4/h10,17H,7-9,11-12H2,1-6H3
InChIKeyQLWWQVAGKANDJL-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.94
Rot. Bonds8

About N-[[4-[[3-methoxypropyl(methyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine

N-[[4-[[3-methoxypropyl(methyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine (PubChem CID 63007768) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N-[[4-[[3-methoxypropyl(methyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-[[3-methoxypropyl(methyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
PubChem CID63007768
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC NameN-[[4-[[3-methoxypropyl(methyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
SMILESCOCCCN(C)Cc1cc(CNC(C)(C)C)oc1C
InChIInChI=1S/C16H30N2O2/c1-13-14(12-18(5)8-7-9-19-6)10-15(20-13)11-17-16(2,3)4/h10,17H,7-9,11-12H2,1-6H3
InChIKeyQLWWQVAGKANDJL-UHFFFAOYSA-N
XLogP2.94
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
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'}

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Related Compounds

N-[[4-[[ethyl(2-methoxyethyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 62435949
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
N-[[5-[[ethyl(2-methoxyethyl)amino]methyl]-2-methylfuran-3-yl]methyl]-2-methylpropan-2-amine
CID 62435944
2-methyl-N-[[2-methyl-5-[[methyl(propyl)amino]methyl]furan-3-yl]methyl]propan-2-amine
CID 62417562
N-[[4-[[2-ethoxyethyl(ethyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 63691429
N-[[5-(2-methoxyethoxymethyl)-2-methylfuran-3-yl]methyl]-2-methylpropan-2-amine
CID 62455984
N-[[5-[(tert-butylamino)methyl]-2-methylfuran-3-yl]methyl]-N,4-dimethylpentan-2-amine
CID 62463726
N-[[5-[(tert-butylamino)methyl]-2-methylfuran-3-yl]methyl]-N-methylcyclopentanamine
CID 62419292
N-[[5-[(tert-butylamino)methyl]-2-methylfuran-3-yl]methyl]-N-ethylbutan-2-amine
CID 62422752
N-[[4-(butoxymethyl)-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 55077622
N,N,N'-trimethyl-N'-[[2-methyl-5-[(propan-2-ylamino)methyl]furan-3-yl]methyl]propane-1,3-diamine
CID 63727556

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[3-methoxypropyl(methyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[4-[[3-methoxypropyl(methyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine (CID 63007768) is N-[[4-[[3-methoxypropyl(methyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4-[[3-methoxypropyl(methyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4-[[3-methoxypropyl(methyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine is COCCCN(C)Cc1cc(CNC(C)(C)C)oc1C.
What is the InChIKey of N-[[4-[[3-methoxypropyl(methyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is QLWWQVAGKANDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-13-14(12-18(5)8-7-9-19-6)10-15(20-13)11-17-16(2,3)4/h10,17H,7-9,11-12H2,1-6H3.
What are the key properties of N-[[4-[[3-methoxypropyl(methyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine?
N-[[4-[[3-methoxypropyl(methyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 282.43 g/mol, XLogP of 2.94, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[3-methoxypropyl(methyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63007768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).