N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]-N-prop-2-enylprop-2-en-1-amine

C14H22N2O — CID 55070105

IUPACN-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCN(CC=C)Cc1cc(CNC)c(C)o1
InChIInChI=1S/C14H22N2O/c1-5-7-16(8-6-2)11-14-9-13(10-15-4)12(3)17-14/h5-6,9,15H,1-2,7-8,10-11H2,3-4H3
InChIKeyQYXARHSZWCKFQZ-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.48
Rot. Bonds8

About N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]-N-prop-2-enylprop-2-en-1-amine

N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]-N-prop-2-enylprop-2-en-1-amine (PubChem CID 55070105) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]-N-prop-2-enylprop-2-en-1-amine.

Molecular Properties

Compound NameN-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]-N-prop-2-enylprop-2-en-1-amine
PubChem CID55070105
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCN(CC=C)Cc1cc(CNC)c(C)o1
InChIInChI=1S/C14H22N2O/c1-5-7-16(8-6-2)11-14-9-13(10-15-4)12(3)17-14/h5-6,9,15H,1-2,7-8,10-11H2,3-4H3
InChIKeyQYXARHSZWCKFQZ-UHFFFAOYSA-N
XLogP2.48
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-[[bis(prop-2-enyl)amino]methyl]-5-methylfuran-2-yl]methyl]propan-1-amine
CID 62438260
N-[[4-(ethylaminomethyl)-5-methylfuran-2-yl]methyl]-N-(2-methoxyethyl)prop-2-en-1-amine
CID 103340457
N,N,N'-trimethyl-N'-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]ethane-1,2-diamine
CID 55228334
2,2,2-trifluoro-N-methyl-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]ethanamine
CID 55073567
N-ethyl-2-methoxy-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]ethanamine
CID 62435593
N-[[4-(methylaminomethyl)furan-2-yl]methyl]-N-prop-2-enylprop-2-en-1-amine
CID 62438809
N-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N-prop-2-enylprop-2-en-1-amine
CID 62439896
2-methyl-N-[[2-methyl-5-(methylaminomethyl)furan-3-yl]methyl]-N-(2-methylpropyl)propan-1-amine
CID 62428024
N-ethyl-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]cyclopropanamine
CID 62421832
4-ethyl-N-methyl-N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]aniline
CID 62434933
1-[5-[[(3-bromophenyl)methyl-methylamino]methyl]-2-methylfuran-3-yl]-N-methylmethanamine
CID 62462530
N-methyl-1-[2-methyl-5-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]furan-3-yl]methanamine
CID 62463336

Frequently Asked Questions

What is the IUPAC name of N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]-N-prop-2-enylprop-2-en-1-amine?
The IUPAC name of N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]-N-prop-2-enylprop-2-en-1-amine (CID 55070105) is N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]-N-prop-2-enylprop-2-en-1-amine.
What is the SMILES notation for N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]-N-prop-2-enylprop-2-en-1-amine?
The canonical SMILES for N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]-N-prop-2-enylprop-2-en-1-amine is C=CCN(CC=C)Cc1cc(CNC)c(C)o1.
What is the InChIKey of N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]-N-prop-2-enylprop-2-en-1-amine?
The InChIKey is QYXARHSZWCKFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-5-7-16(8-6-2)11-14-9-13(10-15-4)12(3)17-14/h5-6,9,15H,1-2,7-8,10-11H2,3-4H3.
What are the key properties of N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]-N-prop-2-enylprop-2-en-1-amine?
N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]-N-prop-2-enylprop-2-en-1-amine has a molecular weight of 234.34 g/mol, XLogP of 2.48, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]-N-prop-2-enylprop-2-en-1-amine is sourced from PubChem (CID 55070105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).