N-[(5-methylfuran-2-yl)methyl]-N-prop-2-enylprop-2-en-1-amine

C12H17NO — CID 51362686

IUPACN-[(5-methylfuran-2-yl)methyl]-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCN(CC=C)Cc1ccc(C)o1
InChIInChI=1S/C12H17NO/c1-4-8-13(9-5-2)10-12-7-6-11(3)14-12/h4-7H,1-2,8-10H2,3H3
InChIKeyZZNLPPAUQCRQIC-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.76
Rot. Bonds6

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

N-[(5-methylfuran-2-yl)methyl]-N-prop-2-enylprop-2-en-1-amine (PubChem CID 51362686) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)methyl]-N-prop-2-enylprop-2-en-1-amine.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)methyl]-N-prop-2-enylprop-2-en-1-amine
PubChem CID51362686
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC NameN-[(5-methylfuran-2-yl)methyl]-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCN(CC=C)Cc1ccc(C)o1
InChIInChI=1S/C12H17NO/c1-4-8-13(9-5-2)10-12-7-6-11(3)14-12/h4-7H,1-2,8-10H2,3H3
InChIKeyZZNLPPAUQCRQIC-UHFFFAOYSA-N
XLogP2.76
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[(5-methylfuran-2-yl)methyl-prop-2-enylamino]acetate
CID 115539193
N-[[5-[[bis(prop-2-enyl)amino]methyl]furan-2-yl]methyl]-2-methylpropan-2-amine
CID 62438068
N-benzyl-2-[dimethylcarbamoyl(prop-2-enyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 3548187
N-[[5-methyl-4-(methylaminomethyl)furan-2-yl]methyl]-N-prop-2-enylprop-2-en-1-amine
CID 55070105
N,N'-dimethyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 43526366
2-methyl-1-[methyl-[(5-methylfuran-2-yl)methyl]amino]propan-2-ol
CID 60886966
N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-prop-2-enylpropanamide
CID 5155914
3-butoxy-N,N-bis[(5-methylfuran-2-yl)methyl]propan-1-amine
CID 5171820
N-[2-(dimethylamino)ethyl]-N-[(5-methylfuran-2-yl)methyl]prop-2-enamide
CID 54875839
N-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N-prop-2-enylprop-2-en-1-amine
CID 62439896
N'-benzyl-N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 171442310
2-methyl-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanenitrile
CID 115129501

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)methyl]-N-prop-2-enylprop-2-en-1-amine?
The IUPAC name of N-[(5-methylfuran-2-yl)methyl]-N-prop-2-enylprop-2-en-1-amine (CID 51362686) is N-[(5-methylfuran-2-yl)methyl]-N-prop-2-enylprop-2-en-1-amine.
What is the SMILES notation for N-[(5-methylfuran-2-yl)methyl]-N-prop-2-enylprop-2-en-1-amine?
The canonical SMILES for N-[(5-methylfuran-2-yl)methyl]-N-prop-2-enylprop-2-en-1-amine is C=CCN(CC=C)Cc1ccc(C)o1.
What is the InChIKey of N-[(5-methylfuran-2-yl)methyl]-N-prop-2-enylprop-2-en-1-amine?
The InChIKey is ZZNLPPAUQCRQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-4-8-13(9-5-2)10-12-7-6-11(3)14-12/h4-7H,1-2,8-10H2,3H3.
What are the key properties of N-[(5-methylfuran-2-yl)methyl]-N-prop-2-enylprop-2-en-1-amine?
N-[(5-methylfuran-2-yl)methyl]-N-prop-2-enylprop-2-en-1-amine has a molecular weight of 191.27 g/mol, XLogP of 2.76, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylfuran-2-yl)methyl]-N-prop-2-enylprop-2-en-1-amine is sourced from PubChem (CID 51362686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).