2-(1,3-dimethyl-1,3-diazinan-2-ylidene)-N,N'-bis(prop-2-enyl)propanediamide

C15H24N4O2 — CID 102423062

IUPAC2-(1,3-dimethyl-1,3-diazinan-2-ylidene)-N,N'-bis(prop-2-enyl)propanediamide
SMILESC=CCNC(=O)C(C(=O)NCC=C)=C1N(C)CCCN1C
InChIInChI=1S/C15H24N4O2/c1-5-8-16-13(20)12(14(21)17-9-6-2)15-18(3)10-7-11-19(15)4/h5-6H,1-2,7-11H2,3-4H3,(H,16,20)(H,17,21)
InChIKeySKXZUJCTIWNBJA-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.07
Rot. Bonds6

About 2-(1,3-dimethyl-1,3-diazinan-2-ylidene)-N,N'-bis(prop-2-enyl)propanediamide

2-(1,3-dimethyl-1,3-diazinan-2-ylidene)-N,N'-bis(prop-2-enyl)propanediamide (PubChem CID 102423062) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-(1,3-dimethyl-1,3-diazinan-2-ylidene)-N,N'-bis(prop-2-enyl)propanediamide.

Molecular Properties

Compound Name2-(1,3-dimethyl-1,3-diazinan-2-ylidene)-N,N'-bis(prop-2-enyl)propanediamide
PubChem CID102423062
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name2-(1,3-dimethyl-1,3-diazinan-2-ylidene)-N,N'-bis(prop-2-enyl)propanediamide
SMILESC=CCNC(=O)C(C(=O)NCC=C)=C1N(C)CCCN1C
InChIInChI=1S/C15H24N4O2/c1-5-8-16-13(20)12(14(21)17-9-6-2)15-18(3)10-7-11-19(15)4/h5-6H,1-2,7-11H2,3-4H3,(H,16,20)(H,17,21)
InChIKeySKXZUJCTIWNBJA-UHFFFAOYSA-N
XLogP0.07
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

2-(4-methylpiperazin-1-yl)-2-oxo-N-prop-2-enylacetamide
CID 108517092
3-(1,3-dimethyl-1,3-diazinan-2-ylidene)pentane-2,4-dione
CID 134921100
N-prop-2-enylpyrrolidine-1-carboxamide
CID 102517238
2-(3,5-dimethylpiperidin-1-yl)-2-oxo-N-prop-2-enylacetamide
CID 108520564
(Z)-2-hydroxy-N-prop-2-enylbut-2-enamide
CID 87714172
2-methyl-N-prop-2-enylprop-2-enamide;hydrochloride
CID 173399852
3-(azepan-1-yl)-N-prop-2-enylpropanamide
CID 109011875
3-(methylamino)-2-oxo-N-prop-2-enylpropanamide
CID 143353566
N,N-dimethyl-2-[[(2-piperidin-1-ylethylamino)-(prop-2-enylamino)methylidene]amino]acetamide
CID 111364813
1-(1-methylpiperidin-4-yl)-3-prop-2-enylurea
CID 110865945
2-methyl-1-prop-2-enyl-3-(4-pyrrolidin-1-ylbutyl)guanidine
CID 110980497
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-N'-prop-2-enyloxamide
CID 108526467

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethyl-1,3-diazinan-2-ylidene)-N,N'-bis(prop-2-enyl)propanediamide?
The IUPAC name of 2-(1,3-dimethyl-1,3-diazinan-2-ylidene)-N,N'-bis(prop-2-enyl)propanediamide (CID 102423062) is 2-(1,3-dimethyl-1,3-diazinan-2-ylidene)-N,N'-bis(prop-2-enyl)propanediamide.
What is the SMILES notation for 2-(1,3-dimethyl-1,3-diazinan-2-ylidene)-N,N'-bis(prop-2-enyl)propanediamide?
The canonical SMILES for 2-(1,3-dimethyl-1,3-diazinan-2-ylidene)-N,N'-bis(prop-2-enyl)propanediamide is C=CCNC(=O)C(C(=O)NCC=C)=C1N(C)CCCN1C.
What is the InChIKey of 2-(1,3-dimethyl-1,3-diazinan-2-ylidene)-N,N'-bis(prop-2-enyl)propanediamide?
The InChIKey is SKXZUJCTIWNBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-5-8-16-13(20)12(14(21)17-9-6-2)15-18(3)10-7-11-19(15)4/h5-6H,1-2,7-11H2,3-4H3,(H,16,20)(H,17,21).
What are the key properties of 2-(1,3-dimethyl-1,3-diazinan-2-ylidene)-N,N'-bis(prop-2-enyl)propanediamide?
2-(1,3-dimethyl-1,3-diazinan-2-ylidene)-N,N'-bis(prop-2-enyl)propanediamide has a molecular weight of 292.38 g/mol, XLogP of 0.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethyl-1,3-diazinan-2-ylidene)-N,N'-bis(prop-2-enyl)propanediamide is sourced from PubChem (CID 102423062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).