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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Related Compounds

1-[bis(prop-2-enyl)amino]prop-2-enyl 2-methylprop-2-enoate
CID 87118360
1-N,1-N',1-N'-tris(prop-2-enyl)prop-2-ene-1,1-diamine
CID 173094212
1-(2-methylprop-2-enoylamino)prop-2-enylphosphonic acid
CID 87684851
2-methyl-N-[(2R,3S)-3-(2-methylprop-2-enoylamino)butan-2-yl]prop-2-enamide
CID 167017883
N-[3-[bis(prop-2-enyl)amino]prop-2-enyl]-2-methylprop-2-enamide
CID 173174542
N-(1,2-dihydroxyethyl)-2-methylprop-2-enamide
CID 88801162
N-[1-(diethylamino)-2,2-dimethylpropyl]-2-methylprop-2-enamide
CID 139776232
2-methyl-N-prop-2-enylprop-2-enamide;hydrochloride
CID 173399852
(E)-4-(dimethylamino)-N-propan-2-ylbut-2-enamide;2-methyl-N-propan-2-ylprop-2-enamide;N-propan-2-ylprop-2-enamide
CID 163774916
2-methyl-N-[(1S)-1-sulfanylethyl]prop-2-enamide
CID 134338956
3-prop-1-en-2-yl-1,1-bis(prop-2-enyl)urea
CID 108910247
N-(1-chloropropyl)-2-methylprop-2-enamide
CID 23228242

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).