N-[[5-[[3-methoxypropyl(methyl)amino]methyl]-2-methylfuran-3-yl]methyl]-2-methylpropan-1-amine

C16H30N2O2 — CID 63008846

IUPACN-[[5-[[3-methoxypropyl(methyl)amino]methyl]-2-methylfuran-3-yl]methyl]-2-methylpropan-1-amine
SMILESCOCCCN(C)Cc1cc(CNCC(C)C)c(C)o1
InChIInChI=1S/C16H30N2O2/c1-13(2)10-17-11-15-9-16(20-14(15)3)12-18(4)7-6-8-19-5/h9,13,17H,6-8,10-12H2,1-5H3
InChIKeyRWTJYJQURVYBIC-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.80
Rot. Bonds10

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

N-[[5-[[3-methoxypropyl(methyl)amino]methyl]-2-methylfuran-3-yl]methyl]-2-methylpropan-1-amine (PubChem CID 63008846) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N-[[5-[[3-methoxypropyl(methyl)amino]methyl]-2-methylfuran-3-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[5-[[3-methoxypropyl(methyl)amino]methyl]-2-methylfuran-3-yl]methyl]-2-methylpropan-1-amine
PubChem CID63008846
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC NameN-[[5-[[3-methoxypropyl(methyl)amino]methyl]-2-methylfuran-3-yl]methyl]-2-methylpropan-1-amine
SMILESCOCCCN(C)Cc1cc(CNCC(C)C)c(C)o1
InChIInChI=1S/C16H30N2O2/c1-13(2)10-17-11-15-9-16(20-14(15)3)12-18(4)7-6-8-19-5/h9,13,17H,6-8,10-12H2,1-5H3
InChIKeyRWTJYJQURVYBIC-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[5-[[3-methoxypropyl(methyl)amino]methyl]-2-methylfuran-3-yl]methyl]-2-methylpropan-1-amine with MolForge

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Related Compounds

N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]-3-methoxy-N-methylpropan-1-amine
CID 63008490
N-[[5-[[3-methoxypropyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine
CID 63009567
N-[[4-[[3-methoxypropyl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine
CID 63008493
N-[[5-[2-(dimethylamino)ethoxymethyl]-2-methylfuran-3-yl]methyl]-2-methylpropan-1-amine
CID 62459116
N-[[4-[3-(dimethylamino)propoxymethyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
CID 62459346
N-[[4-[[2-ethoxyethyl(methyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
CID 81068266
N-[[4-[[3-methoxypropyl(methyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 63007768
N-[[2-methyl-5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]furan-3-yl]methyl]propan-1-amine
CID 81068577
N-[[4-[[2-methoxyethyl(prop-2-enyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
CID 103340227
2-ethoxy-N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]-N-methylethanamine
CID 81068757
N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]-N-methylpropan-1-amine
CID 62417372
2-methyl-N-[[5-methyl-4-[[methyl(2-methylsulfonylethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine
CID 79841917

Frequently Asked Questions

What is the IUPAC name of N-[[5-[[3-methoxypropyl(methyl)amino]methyl]-2-methylfuran-3-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[5-[[3-methoxypropyl(methyl)amino]methyl]-2-methylfuran-3-yl]methyl]-2-methylpropan-1-amine (CID 63008846) is N-[[5-[[3-methoxypropyl(methyl)amino]methyl]-2-methylfuran-3-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[5-[[3-methoxypropyl(methyl)amino]methyl]-2-methylfuran-3-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[5-[[3-methoxypropyl(methyl)amino]methyl]-2-methylfuran-3-yl]methyl]-2-methylpropan-1-amine is COCCCN(C)Cc1cc(CNCC(C)C)c(C)o1.
What is the InChIKey of N-[[5-[[3-methoxypropyl(methyl)amino]methyl]-2-methylfuran-3-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is RWTJYJQURVYBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-13(2)10-17-11-15-9-16(20-14(15)3)12-18(4)7-6-8-19-5/h9,13,17H,6-8,10-12H2,1-5H3.
What are the key properties of N-[[5-[[3-methoxypropyl(methyl)amino]methyl]-2-methylfuran-3-yl]methyl]-2-methylpropan-1-amine?
N-[[5-[[3-methoxypropyl(methyl)amino]methyl]-2-methylfuran-3-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 282.43 g/mol, XLogP of 2.80, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[3-methoxypropyl(methyl)amino]methyl]-2-methylfuran-3-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 63008846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).