ethane;N-(3-methyl-1,3-diazinan-4-yl)-N-[(Z)-prop-1-enyl]prop-2-enamide

C13H25N3O — CID 156737866

IUPACethane;N-(3-methyl-1,3-diazinan-4-yl)-N-[(Z)-prop-1-enyl]prop-2-enamide
SMILESC=CC(=O)N(/C=C\C)C1CCNCN1C.CC
InChIInChI=1S/C11H19N3O.C2H6/c1-4-8-14(11(15)5-2)10-6-7-12-9-13(10)3;1-2/h4-5,8,10,12H,2,6-7,9H2,1,3H3;1-2H3/b8-4-;
InChIKeyIDAPXHOAAOTUAF-ZYFYRQFPSA-N
MW239.36 g/mol
LogP1.77
Rot. Bonds3

About ethane;N-(3-methyl-1,3-diazinan-4-yl)-N-[(Z)-prop-1-enyl]prop-2-enamide

ethane;N-(3-methyl-1,3-diazinan-4-yl)-N-[(Z)-prop-1-enyl]prop-2-enamide (PubChem CID 156737866) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is ethane;N-(3-methyl-1,3-diazinan-4-yl)-N-[(Z)-prop-1-enyl]prop-2-enamide.

Molecular Properties

Compound Nameethane;N-(3-methyl-1,3-diazinan-4-yl)-N-[(Z)-prop-1-enyl]prop-2-enamide
PubChem CID156737866
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Nameethane;N-(3-methyl-1,3-diazinan-4-yl)-N-[(Z)-prop-1-enyl]prop-2-enamide
SMILESC=CC(=O)N(/C=C\C)C1CCNCN1C.CC
InChIInChI=1S/C11H19N3O.C2H6/c1-4-8-14(11(15)5-2)10-6-7-12-9-13(10)3;1-2/h4-5,8,10,12H,2,6-7,9H2,1,3H3;1-2H3/b8-4-;
InChIKeyIDAPXHOAAOTUAF-ZYFYRQFPSA-N
XLogP1.77
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2,4-dioxo-N-propyl-1H-pyrimidine-3-carboxamide
CID 10241815
1-[3-[3-(3-Aminopropylamino)propylamino]propyl]pyrimidine-2,4-dione;hydrochloride
CID 70684255
N,N-(dimethylamino)propylacrylamide
CID 19831617
3,4-dihydro-1H-pyrido[1,2-a]pyrimidin-6(2H)-one
CID 53447377
3-Aminopropyluracil
CID 84021582
3-(2,4-Dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-N,N-diethylpropanamide
CID 376201
2-Tert-butyl-3-methyl-1,2-dihydropyrimidin-4-one
CID 85625555
1-[3-[3-(3-Aminopropylamino)propylamino]propyl]pyrimidine-2,4-dione
CID 70684256
6-[3-(Dimethylamino)propylamino]-3-methyl-1-prop-2-enylpyrimidine-2,4-dione
CID 5235381
Trimethyl-[1-(prop-2-enoylamino)propyl]azanium
CID 11160060
N-[1-(dimethylamino)ethyl]prop-2-enamide;prop-2-en-1-amine
CID 17973364
Ethyl-dimethyl-[1-(prop-2-enoylamino)propyl]azanium
CID 19782829

Frequently Asked Questions

What is the IUPAC name of ethane;N-(3-methyl-1,3-diazinan-4-yl)-N-[(Z)-prop-1-enyl]prop-2-enamide?
The IUPAC name of ethane;N-(3-methyl-1,3-diazinan-4-yl)-N-[(Z)-prop-1-enyl]prop-2-enamide (CID 156737866) is ethane;N-(3-methyl-1,3-diazinan-4-yl)-N-[(Z)-prop-1-enyl]prop-2-enamide.
What is the SMILES notation for ethane;N-(3-methyl-1,3-diazinan-4-yl)-N-[(Z)-prop-1-enyl]prop-2-enamide?
The canonical SMILES for ethane;N-(3-methyl-1,3-diazinan-4-yl)-N-[(Z)-prop-1-enyl]prop-2-enamide is C=CC(=O)N(/C=C\C)C1CCNCN1C.CC.
What is the InChIKey of ethane;N-(3-methyl-1,3-diazinan-4-yl)-N-[(Z)-prop-1-enyl]prop-2-enamide?
The InChIKey is IDAPXHOAAOTUAF-ZYFYRQFPSA-N. The full InChI is InChI=1S/C11H19N3O.C2H6/c1-4-8-14(11(15)5-2)10-6-7-12-9-13(10)3;1-2/h4-5,8,10,12H,2,6-7,9H2,1,3H3;1-2H3/b8-4-;.
What are the key properties of ethane;N-(3-methyl-1,3-diazinan-4-yl)-N-[(Z)-prop-1-enyl]prop-2-enamide?
ethane;N-(3-methyl-1,3-diazinan-4-yl)-N-[(Z)-prop-1-enyl]prop-2-enamide has a molecular weight of 239.36 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(3-methyl-1,3-diazinan-4-yl)-N-[(Z)-prop-1-enyl]prop-2-enamide is sourced from PubChem (CID 156737866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).