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

C13H20N2O — CID 62438809

IUPACN-[[4-(methylaminomethyl)furan-2-yl]methyl]-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCN(CC=C)Cc1cc(CNC)co1
InChIInChI=1S/C13H20N2O/c1-4-6-15(7-5-2)10-13-8-12(9-14-3)11-16-13/h4-5,8,11,14H,1-2,6-7,9-10H2,3H3
InChIKeyRZXQEDPZCBDFQJ-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.17
Rot. Bonds8

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

N-[[4-(methylaminomethyl)furan-2-yl]methyl]-N-prop-2-enylprop-2-en-1-amine (PubChem CID 62438809) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-[[4-(methylaminomethyl)furan-2-yl]methyl]-N-prop-2-enylprop-2-en-1-amine.

Molecular Properties

Compound NameN-[[4-(methylaminomethyl)furan-2-yl]methyl]-N-prop-2-enylprop-2-en-1-amine
PubChem CID62438809
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-[[4-(methylaminomethyl)furan-2-yl]methyl]-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCN(CC=C)Cc1cc(CNC)co1
InChIInChI=1S/C13H20N2O/c1-4-6-15(7-5-2)10-13-8-12(9-14-3)11-16-13/h4-5,8,11,14H,1-2,6-7,9-10H2,3H3
InChIKeyRZXQEDPZCBDFQJ-UHFFFAOYSA-N
XLogP2.17
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.17
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-[[5-[[bis(prop-2-enyl)amino]methyl]furan-3-yl]methyl]-2-methylpropan-2-amine
CID 62439185
N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]-N-prop-2-enylprop-2-en-1-amine
CID 55070105
N-methyl-N-[[4-(methylaminomethyl)furan-2-yl]methyl]butan-2-amine
CID 62419547
N-[[4-(methylaminomethyl)furan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62427375
1-[5-[[furan-3-ylmethyl(methyl)amino]methyl]furan-3-yl]-N-methylmethanamine
CID 62462911
N-ethyl-N-[[4-(methylaminomethyl)furan-2-yl]methyl]butan-2-amine
CID 62420328
N-methyl-1-[5-[[methyl(thiophen-2-ylmethyl)amino]methyl]furan-3-yl]methanamine
CID 62422100
N,4-dimethyl-N-[[4-(methylaminomethyl)furan-2-yl]methyl]pentan-2-amine
CID 62463388
N-methyl-N-[[4-(methylaminomethyl)furan-2-yl]methyl]-1-(oxan-2-yl)methanamine
CID 62431538
N,3-dimethyl-N-[[4-(methylaminomethyl)furan-2-yl]methyl]aniline
CID 62436032
N-methyl-N-[[4-(methylaminomethyl)furan-2-yl]methyl]-1-methylsulfanylbutan-2-amine
CID 112665767
1-(1-ethylpyrrolidin-2-yl)-N-methyl-N-[[4-(methylaminomethyl)furan-2-yl]methyl]methanamine
CID 79312500

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methylaminomethyl)furan-2-yl]methyl]-N-prop-2-enylprop-2-en-1-amine?
The IUPAC name of N-[[4-(methylaminomethyl)furan-2-yl]methyl]-N-prop-2-enylprop-2-en-1-amine (CID 62438809) is N-[[4-(methylaminomethyl)furan-2-yl]methyl]-N-prop-2-enylprop-2-en-1-amine.
What is the SMILES notation for N-[[4-(methylaminomethyl)furan-2-yl]methyl]-N-prop-2-enylprop-2-en-1-amine?
The canonical SMILES for N-[[4-(methylaminomethyl)furan-2-yl]methyl]-N-prop-2-enylprop-2-en-1-amine is C=CCN(CC=C)Cc1cc(CNC)co1.
What is the InChIKey of N-[[4-(methylaminomethyl)furan-2-yl]methyl]-N-prop-2-enylprop-2-en-1-amine?
The InChIKey is RZXQEDPZCBDFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-4-6-15(7-5-2)10-13-8-12(9-14-3)11-16-13/h4-5,8,11,14H,1-2,6-7,9-10H2,3H3.
What are the key properties of N-[[4-(methylaminomethyl)furan-2-yl]methyl]-N-prop-2-enylprop-2-en-1-amine?
N-[[4-(methylaminomethyl)furan-2-yl]methyl]-N-prop-2-enylprop-2-en-1-amine has a molecular weight of 220.32 g/mol, XLogP of 2.17, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methylaminomethyl)furan-2-yl]methyl]-N-prop-2-enylprop-2-en-1-amine is sourced from PubChem (CID 62438809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).