N-[[2-[[bis(prop-2-enyl)amino]methyl]furan-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine

C18H26N2O — CID 67976710

IUPACN-[[2-[[bis(prop-2-enyl)amino]methyl]furan-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCN(CC=C)Cc1ccoc1CN(CC=C)CC=C
InChIInChI=1S/C18H26N2O/c1-5-10-19(11-6-2)15-17-9-14-21-18(17)16-20(12-7-3)13-8-4/h5-9,14H,1-4,10-13,15-16H2
InChIKeyHIVSXQIWHLUGPL-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.63
Rot. Bonds12

About N-[[2-[[bis(prop-2-enyl)amino]methyl]furan-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine

N-[[2-[[bis(prop-2-enyl)amino]methyl]furan-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine (PubChem CID 67976710) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N-[[2-[[bis(prop-2-enyl)amino]methyl]furan-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine.

Molecular Properties

Compound NameN-[[2-[[bis(prop-2-enyl)amino]methyl]furan-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine
PubChem CID67976710
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN-[[2-[[bis(prop-2-enyl)amino]methyl]furan-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCN(CC=C)Cc1ccoc1CN(CC=C)CC=C
InChIInChI=1S/C18H26N2O/c1-5-10-19(11-6-2)15-17-9-14-21-18(17)16-20(12-7-3)13-8-4/h5-9,14H,1-4,10-13,15-16H2
InChIKeyHIVSXQIWHLUGPL-UHFFFAOYSA-N
XLogP3.63
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[[bis(prop-2-enyl)amino]methyl]furan-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine?
The IUPAC name of N-[[2-[[bis(prop-2-enyl)amino]methyl]furan-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine (CID 67976710) is N-[[2-[[bis(prop-2-enyl)amino]methyl]furan-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine.
What is the SMILES notation for N-[[2-[[bis(prop-2-enyl)amino]methyl]furan-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine?
The canonical SMILES for N-[[2-[[bis(prop-2-enyl)amino]methyl]furan-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine is C=CCN(CC=C)Cc1ccoc1CN(CC=C)CC=C.
What is the InChIKey of N-[[2-[[bis(prop-2-enyl)amino]methyl]furan-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine?
The InChIKey is HIVSXQIWHLUGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-5-10-19(11-6-2)15-17-9-14-21-18(17)16-20(12-7-3)13-8-4/h5-9,14H,1-4,10-13,15-16H2.
What are the key properties of N-[[2-[[bis(prop-2-enyl)amino]methyl]furan-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine?
N-[[2-[[bis(prop-2-enyl)amino]methyl]furan-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine has a molecular weight of 286.42 g/mol, XLogP of 3.63, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[[bis(prop-2-enyl)amino]methyl]furan-3-yl]methyl]-N-prop-2-enylprop-2-en-1-amine is sourced from PubChem (CID 67976710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).