N-[3-[bis(prop-2-enyl)amino]prop-2-enyl]-2-methylprop-2-enamide

C13H20N2O — CID 173174542

IUPACN-[3-[bis(prop-2-enyl)amino]prop-2-enyl]-2-methylprop-2-enamide
SMILESC=CCN(C=CCNC(=O)C(=C)C)CC=C
InChIInChI=1S/C13H20N2O/c1-5-9-15(10-6-2)11-7-8-14-13(16)12(3)4/h5-7,11H,1-3,8-10H2,4H3,(H,14,16)
InChIKeyFIPRBHLNTUJUIC-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.87
Rot. Bonds8

About N-[3-[bis(prop-2-enyl)amino]prop-2-enyl]-2-methylprop-2-enamide

N-[3-[bis(prop-2-enyl)amino]prop-2-enyl]-2-methylprop-2-enamide (PubChem CID 173174542) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-[3-[bis(prop-2-enyl)amino]prop-2-enyl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[3-[bis(prop-2-enyl)amino]prop-2-enyl]-2-methylprop-2-enamide
PubChem CID173174542
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-[3-[bis(prop-2-enyl)amino]prop-2-enyl]-2-methylprop-2-enamide
SMILESC=CCN(C=CCNC(=O)C(=C)C)CC=C
InChIInChI=1S/C13H20N2O/c1-5-9-15(10-6-2)11-7-8-14-13(16)12(3)4/h5-7,11H,1-3,8-10H2,4H3,(H,14,16)
InChIKeyFIPRBHLNTUJUIC-UHFFFAOYSA-N
XLogP1.87
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 ≤ 51.87
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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Related Compounds

2-methyl-N-prop-2-enylprop-2-enamide;hydrochloride
CID 173399852
3-(2-methylprop-2-enoylamino)prop-1-ene-1-sulfonic acid
CID 173290774
2-[bis(prop-2-enyl)amino]-N-prop-2-enylprop-2-enamide
CID 87504024
N-[1-[bis(prop-2-enyl)amino]prop-2-enyl]-2-methylprop-2-enamide
CID 87118442
N-but-3-enyl-2-methylprop-2-enamide;urea
CID 87079419
2-methyl-N-[2-[methyl(octa-3,7-dienyl)amino]ethyl]prop-2-enamide
CID 91003328
3-[bis(prop-2-enyl)amino]prop-2-enamide
CID 87667924
N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;prop-1-ene
CID 91268844
3-bis(prop-2-enylamino)silyl-N,N-bis(prop-2-enyl)prop-1-en-1-amine
CID 173002891
3-prop-1-en-2-yl-1,1-bis(prop-2-enyl)urea
CID 108910247
(E)-2,7-dimethylidene-N,N'-bis(prop-2-enyl)oct-4-enediamide
CID 175865307
2-methyl-N-prop-2-enylprop-2-enamide;2-(pyridin-2-yldisulfanyl)pyridine
CID 170312059

Frequently Asked Questions

What is the IUPAC name of N-[3-[bis(prop-2-enyl)amino]prop-2-enyl]-2-methylprop-2-enamide?
The IUPAC name of N-[3-[bis(prop-2-enyl)amino]prop-2-enyl]-2-methylprop-2-enamide (CID 173174542) is N-[3-[bis(prop-2-enyl)amino]prop-2-enyl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[3-[bis(prop-2-enyl)amino]prop-2-enyl]-2-methylprop-2-enamide?
The canonical SMILES for N-[3-[bis(prop-2-enyl)amino]prop-2-enyl]-2-methylprop-2-enamide is C=CCN(C=CCNC(=O)C(=C)C)CC=C.
What is the InChIKey of N-[3-[bis(prop-2-enyl)amino]prop-2-enyl]-2-methylprop-2-enamide?
The InChIKey is FIPRBHLNTUJUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-5-9-15(10-6-2)11-7-8-14-13(16)12(3)4/h5-7,11H,1-3,8-10H2,4H3,(H,14,16).
What are the key properties of N-[3-[bis(prop-2-enyl)amino]prop-2-enyl]-2-methylprop-2-enamide?
N-[3-[bis(prop-2-enyl)amino]prop-2-enyl]-2-methylprop-2-enamide has a molecular weight of 220.32 g/mol, XLogP of 1.87, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[bis(prop-2-enyl)amino]prop-2-enyl]-2-methylprop-2-enamide is sourced from PubChem (CID 173174542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).