N-[1-[bis(prop-2-enyl)amino]prop-2-enyl]-2-methylprop-2-enamide

C13H20N2O — CID 87118442

IUPACN-[1-[bis(prop-2-enyl)amino]prop-2-enyl]-2-methylprop-2-enamide
SMILESC=CCN(CC=C)C(C=C)NC(=O)C(=C)C
InChIInChI=1S/C13H20N2O/c1-6-9-15(10-7-2)12(8-3)14-13(16)11(4)5/h6-8,12H,1-4,9-10H2,5H3,(H,14,16)
InChIKeyYTJRMEGZRCUJIH-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.86
Rot. Bonds8

About N-[1-[bis(prop-2-enyl)amino]prop-2-enyl]-2-methylprop-2-enamide

N-[1-[bis(prop-2-enyl)amino]prop-2-enyl]-2-methylprop-2-enamide (PubChem CID 87118442) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-[1-[bis(prop-2-enyl)amino]prop-2-enyl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[1-[bis(prop-2-enyl)amino]prop-2-enyl]-2-methylprop-2-enamide
PubChem CID87118442
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-[1-[bis(prop-2-enyl)amino]prop-2-enyl]-2-methylprop-2-enamide
SMILESC=CCN(CC=C)C(C=C)NC(=O)C(=C)C
InChIInChI=1S/C13H20N2O/c1-6-9-15(10-7-2)12(8-3)14-13(16)11(4)5/h6-8,12H,1-4,9-10H2,5H3,(H,14,16)
InChIKeyYTJRMEGZRCUJIH-UHFFFAOYSA-N
XLogP1.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-[bis(prop-2-enyl)amino]prop-2-enyl]-2-methylprop-2-enamide?
The IUPAC name of N-[1-[bis(prop-2-enyl)amino]prop-2-enyl]-2-methylprop-2-enamide (CID 87118442) is N-[1-[bis(prop-2-enyl)amino]prop-2-enyl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[1-[bis(prop-2-enyl)amino]prop-2-enyl]-2-methylprop-2-enamide?
The canonical SMILES for N-[1-[bis(prop-2-enyl)amino]prop-2-enyl]-2-methylprop-2-enamide is C=CCN(CC=C)C(C=C)NC(=O)C(=C)C.
What is the InChIKey of N-[1-[bis(prop-2-enyl)amino]prop-2-enyl]-2-methylprop-2-enamide?
The InChIKey is YTJRMEGZRCUJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-6-9-15(10-7-2)12(8-3)14-13(16)11(4)5/h6-8,12H,1-4,9-10H2,5H3,(H,14,16).
What are the key properties of N-[1-[bis(prop-2-enyl)amino]prop-2-enyl]-2-methylprop-2-enamide?
N-[1-[bis(prop-2-enyl)amino]prop-2-enyl]-2-methylprop-2-enamide has a molecular weight of 220.32 g/mol, XLogP of 1.86, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[bis(prop-2-enyl)amino]prop-2-enyl]-2-methylprop-2-enamide is sourced from PubChem (CID 87118442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).