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

C14H25N3O — CID 156737847

IUPACN-[(1Z)-buta-1,3-dienyl]-N-(3-methyl-1,3-diazinan-4-yl)prop-2-enamide;ethane
SMILESC=C/C=C\N(C(=O)C=C)C1CCNCN1C.CC
InChIInChI=1S/C12H19N3O.C2H6/c1-4-6-9-15(12(16)5-2)11-7-8-13-10-14(11)3;1-2/h4-6,9,11,13H,1-2,7-8,10H2,3H3;1-2H3/b9-6-;
InChIKeyKJYRJLFHJQKFTF-BORNJIKYSA-N
MW251.37 g/mol
LogP1.94
Rot. Bonds4

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

N-[(1Z)-buta-1,3-dienyl]-N-(3-methyl-1,3-diazinan-4-yl)prop-2-enamide;ethane (PubChem CID 156737847) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[(1Z)-buta-1,3-dienyl]-N-(3-methyl-1,3-diazinan-4-yl)prop-2-enamide;ethane.

Molecular Properties

Compound NameN-[(1Z)-buta-1,3-dienyl]-N-(3-methyl-1,3-diazinan-4-yl)prop-2-enamide;ethane
PubChem CID156737847
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-[(1Z)-buta-1,3-dienyl]-N-(3-methyl-1,3-diazinan-4-yl)prop-2-enamide;ethane
SMILESC=C/C=C\N(C(=O)C=C)C1CCNCN1C.CC
InChIInChI=1S/C12H19N3O.C2H6/c1-4-6-9-15(12(16)5-2)11-7-8-13-10-14(11)3;1-2/h4-6,9,11,13H,1-2,7-8,10H2,3H3;1-2H3/b9-6-;
InChIKeyKJYRJLFHJQKFTF-BORNJIKYSA-N
XLogP1.94
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(1Z)-buta-1,3-dienyl]-N-(3-methyl-1,3-diazinan-4-yl)prop-2-enamide;ethane with MolForge

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Related Compounds

3,4-dihydro-1H-pyrido[1,2-a]pyrimidin-6(2H)-one
CID 53447377
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
N-(1,4-dimethylpiperazin-2-yl)prop-2-enamide
CID 54439404
N-ethyl-3-[ethyl(prop-2-enoyl)amino]-N-[(prop-2-enoylamino)methyl]prop-2-enamide
CID 57050525
1-[3-(Methylamino)propyl]-2,4(1H,3H)-pyrimidinedione
CID 62564586
N-(1-methyl-2H-pyridin-2-yl)acetamide
CID 66654653
N-(1-piperazin-1-ylethyl)prop-2-enamide
CID 66781666
3-[3-(methylamino)propyl]-1H-pyrimidine-2,4-dione
CID 84022651
N-ethyl-N-(1-methylpiperazin-2-yl)prop-2-enamide
CID 91582554
N-(3-butan-2-yl-2-oxo-1,6-dihydropyrimidin-6-yl)acetamide
CID 123583440
N-[1-(4-methylpiperazin-1-yl)ethyl]prop-2-enamide
CID 134446364

Frequently Asked Questions

What is the IUPAC name of N-[(1Z)-buta-1,3-dienyl]-N-(3-methyl-1,3-diazinan-4-yl)prop-2-enamide;ethane?
The IUPAC name of N-[(1Z)-buta-1,3-dienyl]-N-(3-methyl-1,3-diazinan-4-yl)prop-2-enamide;ethane (CID 156737847) is N-[(1Z)-buta-1,3-dienyl]-N-(3-methyl-1,3-diazinan-4-yl)prop-2-enamide;ethane.
What is the SMILES notation for N-[(1Z)-buta-1,3-dienyl]-N-(3-methyl-1,3-diazinan-4-yl)prop-2-enamide;ethane?
The canonical SMILES for N-[(1Z)-buta-1,3-dienyl]-N-(3-methyl-1,3-diazinan-4-yl)prop-2-enamide;ethane is C=C/C=C\N(C(=O)C=C)C1CCNCN1C.CC.
What is the InChIKey of N-[(1Z)-buta-1,3-dienyl]-N-(3-methyl-1,3-diazinan-4-yl)prop-2-enamide;ethane?
The InChIKey is KJYRJLFHJQKFTF-BORNJIKYSA-N. The full InChI is InChI=1S/C12H19N3O.C2H6/c1-4-6-9-15(12(16)5-2)11-7-8-13-10-14(11)3;1-2/h4-6,9,11,13H,1-2,7-8,10H2,3H3;1-2H3/b9-6-;.
What are the key properties of N-[(1Z)-buta-1,3-dienyl]-N-(3-methyl-1,3-diazinan-4-yl)prop-2-enamide;ethane?
N-[(1Z)-buta-1,3-dienyl]-N-(3-methyl-1,3-diazinan-4-yl)prop-2-enamide;ethane has a molecular weight of 251.37 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z)-buta-1,3-dienyl]-N-(3-methyl-1,3-diazinan-4-yl)prop-2-enamide;ethane is sourced from PubChem (CID 156737847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).