N'-[(E)-2-aminoprop-1-enyl]-N-methyl-N-propylethanimidamide

C9H19N3 — CID 142097634

IUPACN'-[(E)-2-aminoprop-1-enyl]-N-methyl-N-propylethanimidamide
SMILESCCCN(C)/C(C)=N/C=C(\C)N
InChIInChI=1S/C9H19N3/c1-5-6-12(4)9(3)11-7-8(2)10/h7H,5-6,10H2,1-4H3/b8-7+,11-9+
InChIKeyRUDZVNMGEGNMCH-MFDVASPDSA-N
MW169.27 g/mol
LogP1.57
Rot. Bonds3

About N'-[(E)-2-aminoprop-1-enyl]-N-methyl-N-propylethanimidamide

N'-[(E)-2-aminoprop-1-enyl]-N-methyl-N-propylethanimidamide (PubChem CID 142097634) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is N'-[(E)-2-aminoprop-1-enyl]-N-methyl-N-propylethanimidamide.

Molecular Properties

Compound NameN'-[(E)-2-aminoprop-1-enyl]-N-methyl-N-propylethanimidamide
PubChem CID142097634
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC NameN'-[(E)-2-aminoprop-1-enyl]-N-methyl-N-propylethanimidamide
SMILESCCCN(C)/C(C)=N/C=C(\C)N
InChIInChI=1S/C9H19N3/c1-5-6-12(4)9(3)11-7-8(2)10/h7H,5-6,10H2,1-4H3/b8-7+,11-9+
InChIKeyRUDZVNMGEGNMCH-MFDVASPDSA-N
XLogP1.57
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-fluoro-N-methyl-N'-prop-1-en-2-ylpropanimidamide
CID 169915803
2,4-dimethyl-1-propyl-1H-imidazol-1-ium iodide
CID 66764410
1,1,2,4-Tetraethylimidazol-1-ium
CID 67303699
1-methanidyl-2,5-dimethyl-1H-imidazol-1-ium
CID 87342972
(Z)-3-amino-N-ethyl-N,N'-dimethylbut-2-enimidamide
CID 90452846
2,4-Dimethyl-1-propylimidazol-1-ium-1-amine
CID 91483074
1-Butyl-1,2,4-trimethylimidazol-1-ium
CID 122699323
N'-methyl-N-propan-2-yl-N-prop-1-en-2-ylethanimidamide
CID 123367208
N-butyl-N-ethyl-N'-prop-1-en-2-ylpropanimidamide
CID 123520006
Ethyl-methyl-[2-methyl-1-[methyl(prop-1-en-2-yl)amino]propylidene]azanium
CID 123639028
(N-methanimidoyl-C-methylcarbonimidoyl)-dimethyl-prop-1-en-2-ylazanium
CID 123792266
N-[(3Z)-4-(dimethylamino)buta-1,3-dien-2-yl]-N'-ethylpropanimidamide
CID 134202741

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-2-aminoprop-1-enyl]-N-methyl-N-propylethanimidamide?
The IUPAC name of N'-[(E)-2-aminoprop-1-enyl]-N-methyl-N-propylethanimidamide (CID 142097634) is N'-[(E)-2-aminoprop-1-enyl]-N-methyl-N-propylethanimidamide.
What is the SMILES notation for N'-[(E)-2-aminoprop-1-enyl]-N-methyl-N-propylethanimidamide?
The canonical SMILES for N'-[(E)-2-aminoprop-1-enyl]-N-methyl-N-propylethanimidamide is CCCN(C)/C(C)=N/C=C(\C)N.
What is the InChIKey of N'-[(E)-2-aminoprop-1-enyl]-N-methyl-N-propylethanimidamide?
The InChIKey is RUDZVNMGEGNMCH-MFDVASPDSA-N. The full InChI is InChI=1S/C9H19N3/c1-5-6-12(4)9(3)11-7-8(2)10/h7H,5-6,10H2,1-4H3/b8-7+,11-9+.
What are the key properties of N'-[(E)-2-aminoprop-1-enyl]-N-methyl-N-propylethanimidamide?
N'-[(E)-2-aminoprop-1-enyl]-N-methyl-N-propylethanimidamide has a molecular weight of 169.27 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-2-aminoprop-1-enyl]-N-methyl-N-propylethanimidamide is sourced from PubChem (CID 142097634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).