N-but-1-en-2-yl-N'-methyl-N-propylpropanimidamide;ethane

C13H28N2 — CID 142805037

IUPACN-but-1-en-2-yl-N'-methyl-N-propylpropanimidamide;ethane
SMILESC=C(CC)N(CCC)/C(CC)=N/C.CC
InChIInChI=1S/C11H22N2.C2H6/c1-6-9-13(10(4)7-2)11(8-3)12-5;1-2/h4,6-9H2,1-3,5H3;1-2H3/b12-11+;
InChIKeyNSNGIWDYOCDSKS-CALJPSDSSA-N
MW212.38 g/mol
LogP4.09
Rot. Bonds5

About N-but-1-en-2-yl-N'-methyl-N-propylpropanimidamide;ethane

N-but-1-en-2-yl-N'-methyl-N-propylpropanimidamide;ethane (PubChem CID 142805037) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is N-but-1-en-2-yl-N'-methyl-N-propylpropanimidamide;ethane.

Molecular Properties

Compound NameN-but-1-en-2-yl-N'-methyl-N-propylpropanimidamide;ethane
PubChem CID142805037
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC NameN-but-1-en-2-yl-N'-methyl-N-propylpropanimidamide;ethane
SMILESC=C(CC)N(CCC)/C(CC)=N/C.CC
InChIInChI=1S/C11H22N2.C2H6/c1-6-9-13(10(4)7-2)11(8-3)12-5;1-2/h4,6-9H2,1-3,5H3;1-2H3/b12-11+;
InChIKeyNSNGIWDYOCDSKS-CALJPSDSSA-N
XLogP4.09
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-but-1-en-2-yl-N'-methyl-N-propylpropanimidamide;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-2-fluoro-N-methyl-N'-prop-1-en-2-ylpropanimidamide
CID 169915803
N-but-1-en-2-yl-2,2,2-trifluoro-N'-methyl-N-propylethanimidamide
CID 143705958
1,2,5,5-Tetramethyl-4,6-dimethylidenepyrimidine
CID 57792372
1,2-Dimethyl-6-methylidene-4,5-dihydropyrimidine
CID 58003476
1,1,2,4-Tetrakis(prop-2-enyl)imidazol-1-ium
CID 66803283
1,1,2,4-Tetraethylimidazol-1-ium
CID 67303699
N-methyl-N-pent-4-enyl-N'-prop-1-en-2-ylethanimidamide
CID 89192495
1,1,2-Trimethyl-5-[2-(2,3,3-trimethylimidazol-3-ium-4-yl)ethyl]imidazol-1-ium
CID 91381855
N-ethenyl-N-methyl-N'-prop-1-en-2-ylpropanimidamide
CID 118612599
2-Methyl-1-pent-1-en-2-yl-4,5-dihydroimidazole
CID 122608806
1-Butyl-1,2,4-trimethylimidazol-1-ium
CID 122699323
N,N',2-trimethyl-N-prop-1-en-2-ylpropanimidamide
CID 123338851

Frequently Asked Questions

What is the IUPAC name of N-but-1-en-2-yl-N'-methyl-N-propylpropanimidamide;ethane?
The IUPAC name of N-but-1-en-2-yl-N'-methyl-N-propylpropanimidamide;ethane (CID 142805037) is N-but-1-en-2-yl-N'-methyl-N-propylpropanimidamide;ethane.
What is the SMILES notation for N-but-1-en-2-yl-N'-methyl-N-propylpropanimidamide;ethane?
The canonical SMILES for N-but-1-en-2-yl-N'-methyl-N-propylpropanimidamide;ethane is C=C(CC)N(CCC)/C(CC)=N/C.CC.
What is the InChIKey of N-but-1-en-2-yl-N'-methyl-N-propylpropanimidamide;ethane?
The InChIKey is NSNGIWDYOCDSKS-CALJPSDSSA-N. The full InChI is InChI=1S/C11H22N2.C2H6/c1-6-9-13(10(4)7-2)11(8-3)12-5;1-2/h4,6-9H2,1-3,5H3;1-2H3/b12-11+;.
What are the key properties of N-but-1-en-2-yl-N'-methyl-N-propylpropanimidamide;ethane?
N-but-1-en-2-yl-N'-methyl-N-propylpropanimidamide;ethane has a molecular weight of 212.38 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-1-en-2-yl-N'-methyl-N-propylpropanimidamide;ethane is sourced from PubChem (CID 142805037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).