(N-methanimidoyl-C-methylcarbonimidoyl)-dimethyl-prop-1-en-2-ylazanium

C8H16N3+ — CID 123792266

IUPAC(N-methanimidoyl-C-methylcarbonimidoyl)-dimethyl-prop-1-en-2-ylazanium
SMILES[H]/N=C/N=C(\C)[N+](C)(C)C(=C)C
InChIInChI=1S/C8H16N3/c1-7(2)11(4,5)8(3)10-6-9/h6,9H,1H2,2-5H3/q+1/b9-6+,10-8+
InChIKeyMTIZEDFTARJAOD-OAMUUVBCSA-N
MW154.24 g/mol
LogP1.62
Rot. Bonds2

About (N-methanimidoyl-C-methylcarbonimidoyl)-dimethyl-prop-1-en-2-ylazanium

(N-methanimidoyl-C-methylcarbonimidoyl)-dimethyl-prop-1-en-2-ylazanium (PubChem CID 123792266) has the molecular formula C8H16N3+ and a molecular weight of 154.24 g/mol. Its IUPAC name is (N-methanimidoyl-C-methylcarbonimidoyl)-dimethyl-prop-1-en-2-ylazanium.

Molecular Properties

Compound Name(N-methanimidoyl-C-methylcarbonimidoyl)-dimethyl-prop-1-en-2-ylazanium
PubChem CID123792266
Molecular FormulaC8H16N3+
Molecular Weight154.24 g/mol
Exact Mass154.13
IUPAC Name(N-methanimidoyl-C-methylcarbonimidoyl)-dimethyl-prop-1-en-2-ylazanium
SMILES[H]/N=C/N=C(\C)[N+](C)(C)C(=C)C
InChIInChI=1S/C8H16N3/c1-7(2)11(4,5)8(3)10-6-9/h6,9H,1H2,2-5H3/q+1/b9-6+,10-8+
InChIKeyMTIZEDFTARJAOD-OAMUUVBCSA-N
XLogP1.62
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.24
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze (N-methanimidoyl-C-methylcarbonimidoyl)-dimethyl-prop-1-en-2-ylazanium 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'-methyl-N-propan-2-yl-N-prop-1-en-2-ylethanimidamide
CID 123367208
N,N'-dimethyl-N-prop-1-en-2-ylethanimidamide
CID 125510032
N'-[(E)-2-aminoprop-1-enyl]-N-methyl-N-propylethanimidamide;ethane
CID 142097633
1-(Ethylamino)ethylidene-methyl-prop-1-en-2-ylazanium
CID 163978271
N-[2-[[ethyl(methyl)amino]methylideneamino]prop-2-enylidene]ethanimidamide
CID 169918370
N-methyl-N-[(E)-1-(methylideneamino)prop-1-en-2-yl]ethanimidamide
CID 174329032
N-methyl-N-[(E)-1-(methylideneamino)but-1-en-2-yl]ethanimidamide
CID 174329047
N-methyl-N-(3-methyliminoprop-1-en-2-yl)ethanimidamide
CID 174329674
N'-methanimidoyl-N-prop-1-en-2-ylethanimidamide
CID 176529851
N'-[(E)-2-aminoprop-1-enyl]-N-methyl-N-propylethanimidamide
CID 142097634
N-methyl-N-prop-1-en-2-ylbutanimidamide
CID 143110742
N-ethyl-N'-methyl-N-prop-1-en-2-ylethanimidamide
CID 143363768

Frequently Asked Questions

What is the IUPAC name of (N-methanimidoyl-C-methylcarbonimidoyl)-dimethyl-prop-1-en-2-ylazanium?
The IUPAC name of (N-methanimidoyl-C-methylcarbonimidoyl)-dimethyl-prop-1-en-2-ylazanium (CID 123792266) is (N-methanimidoyl-C-methylcarbonimidoyl)-dimethyl-prop-1-en-2-ylazanium.
What is the SMILES notation for (N-methanimidoyl-C-methylcarbonimidoyl)-dimethyl-prop-1-en-2-ylazanium?
The canonical SMILES for (N-methanimidoyl-C-methylcarbonimidoyl)-dimethyl-prop-1-en-2-ylazanium is [H]/N=C/N=C(\C)[N+](C)(C)C(=C)C.
What is the InChIKey of (N-methanimidoyl-C-methylcarbonimidoyl)-dimethyl-prop-1-en-2-ylazanium?
The InChIKey is MTIZEDFTARJAOD-OAMUUVBCSA-N. The full InChI is InChI=1S/C8H16N3/c1-7(2)11(4,5)8(3)10-6-9/h6,9H,1H2,2-5H3/q+1/b9-6+,10-8+.
What are the key properties of (N-methanimidoyl-C-methylcarbonimidoyl)-dimethyl-prop-1-en-2-ylazanium?
(N-methanimidoyl-C-methylcarbonimidoyl)-dimethyl-prop-1-en-2-ylazanium has a molecular weight of 154.24 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (N-methanimidoyl-C-methylcarbonimidoyl)-dimethyl-prop-1-en-2-ylazanium is sourced from PubChem (CID 123792266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).