2-amino-N-methyl-N-(3-prop-1-en-2-yliminoprop-1-en-2-yl)butanamide;ethane

C13H25N3O — CID 145197681

IUPAC2-amino-N-methyl-N-(3-prop-1-en-2-yliminoprop-1-en-2-yl)butanamide;ethane
SMILESC=C(C)/N=C/C(=C)N(C)C(=O)C(N)CC.CC
InChIInChI=1S/C11H19N3O.C2H6/c1-6-10(12)11(15)14(5)9(4)7-13-8(2)3;1-2/h7,10H,2,4,6,12H2,1,3,5H3;1-2H3/b13-7+;
InChIKeyZKGRWWUBASIIBE-FTPOTTDRSA-N
MW239.36 g/mol
LogP2.33
Rot. Bonds5

About 2-amino-N-methyl-N-(3-prop-1-en-2-yliminoprop-1-en-2-yl)butanamide;ethane

2-amino-N-methyl-N-(3-prop-1-en-2-yliminoprop-1-en-2-yl)butanamide;ethane (PubChem CID 145197681) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-amino-N-methyl-N-(3-prop-1-en-2-yliminoprop-1-en-2-yl)butanamide;ethane.

Molecular Properties

Compound Name2-amino-N-methyl-N-(3-prop-1-en-2-yliminoprop-1-en-2-yl)butanamide;ethane
PubChem CID145197681
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name2-amino-N-methyl-N-(3-prop-1-en-2-yliminoprop-1-en-2-yl)butanamide;ethane
SMILESC=C(C)/N=C/C(=C)N(C)C(=O)C(N)CC.CC
InChIInChI=1S/C11H19N3O.C2H6/c1-6-10(12)11(15)14(5)9(4)7-13-8(2)3;1-2/h7,10H,2,4,6,12H2,1,3,5H3;1-2H3/b13-7+;
InChIKeyZKGRWWUBASIIBE-FTPOTTDRSA-N
XLogP2.33
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[3-(ethylideneamino)-2-(methylideneamino)prop-2-enyl]butanamide
CID 123142341
N-[(5-methyl-1,2-dihydropyrazin-2-yl)methyl]butanamide
CID 129060121
3-Amino-1-(3-prop-1-en-2-yliminoprop-1-en-2-yl)piperidin-2-one
CID 134406349
3-methyl-1-[(E)-1-prop-1-en-2-yliminobut-2-en-2-yl]piperazin-2-one
CID 134406472
N-[2-(prop-2-enylideneamino)prop-2-enyl]butanamide
CID 143158206
N-(2-aminoethyl)-3-(prop-1-en-2-yliminomethyl)but-3-enamide;ethane;molecular hydrogen
CID 145197652
ethane;N-methyl-2-(methylamino)-N-(3-prop-1-en-2-yliminoprop-1-en-2-yl)acetamide
CID 145198062
N-(2-aminoethyl)-3-(prop-1-en-2-yliminomethyl)but-3-enamide
CID 145197653
2-amino-N-methyl-N-(3-prop-1-en-2-yliminoprop-1-en-2-yl)butanamide
CID 145197682
N-methyl-2-(methylamino)-N-(3-prop-1-en-2-yliminoprop-1-en-2-yl)acetamide
CID 145198063

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-N-(3-prop-1-en-2-yliminoprop-1-en-2-yl)butanamide;ethane?
The IUPAC name of 2-amino-N-methyl-N-(3-prop-1-en-2-yliminoprop-1-en-2-yl)butanamide;ethane (CID 145197681) is 2-amino-N-methyl-N-(3-prop-1-en-2-yliminoprop-1-en-2-yl)butanamide;ethane.
What is the SMILES notation for 2-amino-N-methyl-N-(3-prop-1-en-2-yliminoprop-1-en-2-yl)butanamide;ethane?
The canonical SMILES for 2-amino-N-methyl-N-(3-prop-1-en-2-yliminoprop-1-en-2-yl)butanamide;ethane is C=C(C)/N=C/C(=C)N(C)C(=O)C(N)CC.CC.
What is the InChIKey of 2-amino-N-methyl-N-(3-prop-1-en-2-yliminoprop-1-en-2-yl)butanamide;ethane?
The InChIKey is ZKGRWWUBASIIBE-FTPOTTDRSA-N. The full InChI is InChI=1S/C11H19N3O.C2H6/c1-6-10(12)11(15)14(5)9(4)7-13-8(2)3;1-2/h7,10H,2,4,6,12H2,1,3,5H3;1-2H3/b13-7+;.
What are the key properties of 2-amino-N-methyl-N-(3-prop-1-en-2-yliminoprop-1-en-2-yl)butanamide;ethane?
2-amino-N-methyl-N-(3-prop-1-en-2-yliminoprop-1-en-2-yl)butanamide;ethane has a molecular weight of 239.36 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-N-(3-prop-1-en-2-yliminoprop-1-en-2-yl)butanamide;ethane is sourced from PubChem (CID 145197681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).