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

C12H20N2O — CID 87123119

IUPACN-[2-[bis(prop-2-enyl)amino]ethyl]-2-methylprop-2-enamide
SMILESC=CCN(CC=C)CCNC(=O)C(=C)C
InChIInChI=1S/C12H20N2O/c1-5-8-14(9-6-2)10-7-13-12(15)11(3)4/h5-6H,1-3,7-10H2,4H3,(H,13,15)
InChIKeyRZQQDQGNRVAVIJ-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.35
Rot. Bonds8

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

N-[2-[bis(prop-2-enyl)amino]ethyl]-2-methylprop-2-enamide (PubChem CID 87123119) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is N-[2-[bis(prop-2-enyl)amino]ethyl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[2-[bis(prop-2-enyl)amino]ethyl]-2-methylprop-2-enamide
PubChem CID87123119
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC NameN-[2-[bis(prop-2-enyl)amino]ethyl]-2-methylprop-2-enamide
SMILESC=CCN(CC=C)CCNC(=O)C(=C)C
InChIInChI=1S/C12H20N2O/c1-5-8-14(9-6-2)10-7-13-12(15)11(3)4/h5-6H,1-3,7-10H2,4H3,(H,13,15)
InChIKeyRZQQDQGNRVAVIJ-UHFFFAOYSA-N
XLogP1.35
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-[2-[bis(prop-2-enyl)amino]ethyl]-2-methylprop-2-enamide?
The IUPAC name of N-[2-[bis(prop-2-enyl)amino]ethyl]-2-methylprop-2-enamide (CID 87123119) is N-[2-[bis(prop-2-enyl)amino]ethyl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[2-[bis(prop-2-enyl)amino]ethyl]-2-methylprop-2-enamide?
The canonical SMILES for N-[2-[bis(prop-2-enyl)amino]ethyl]-2-methylprop-2-enamide is C=CCN(CC=C)CCNC(=O)C(=C)C.
What is the InChIKey of N-[2-[bis(prop-2-enyl)amino]ethyl]-2-methylprop-2-enamide?
The InChIKey is RZQQDQGNRVAVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-5-8-14(9-6-2)10-7-13-12(15)11(3)4/h5-6H,1-3,7-10H2,4H3,(H,13,15).
What are the key properties of N-[2-[bis(prop-2-enyl)amino]ethyl]-2-methylprop-2-enamide?
N-[2-[bis(prop-2-enyl)amino]ethyl]-2-methylprop-2-enamide has a molecular weight of 208.30 g/mol, XLogP of 1.35, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[bis(prop-2-enyl)amino]ethyl]-2-methylprop-2-enamide is sourced from PubChem (CID 87123119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).