2-[(Z)-N-(dimethylamino)-C-methylcarbonimidoyl]-N-methylaniline

C11H17N3 — CID 90734970

IUPAC2-[(Z)-N-(dimethylamino)-C-methylcarbonimidoyl]-N-methylaniline
SMILESCNc1ccccc1/C(C)=N\N(C)C
InChIInChI=1S/C11H17N3/c1-9(13-14(3)4)10-7-5-6-8-11(10)12-2/h5-8,12H,1-4H3/b13-9-
InChIKeyLCJAAJNNRJBJEX-LCYFTJDESA-N
MW191.28 g/mol
LogP2.01
Rot. Bonds3

About 2-[(Z)-N-(dimethylamino)-C-methylcarbonimidoyl]-N-methylaniline

2-[(Z)-N-(dimethylamino)-C-methylcarbonimidoyl]-N-methylaniline (PubChem CID 90734970) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 2-[(Z)-N-(dimethylamino)-C-methylcarbonimidoyl]-N-methylaniline.

Molecular Properties

Compound Name2-[(Z)-N-(dimethylamino)-C-methylcarbonimidoyl]-N-methylaniline
PubChem CID90734970
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name2-[(Z)-N-(dimethylamino)-C-methylcarbonimidoyl]-N-methylaniline
SMILESCNc1ccccc1/C(C)=N\N(C)C
InChIInChI=1S/C11H17N3/c1-9(13-14(3)4)10-7-5-6-8-11(10)12-2/h5-8,12H,1-4H3/b13-9-
InChIKeyLCJAAJNNRJBJEX-LCYFTJDESA-N
XLogP2.01
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-N-(dimethylamino)-C-methylcarbonimidoyl]-N-methylaniline?
The IUPAC name of 2-[(Z)-N-(dimethylamino)-C-methylcarbonimidoyl]-N-methylaniline (CID 90734970) is 2-[(Z)-N-(dimethylamino)-C-methylcarbonimidoyl]-N-methylaniline.
What is the SMILES notation for 2-[(Z)-N-(dimethylamino)-C-methylcarbonimidoyl]-N-methylaniline?
The canonical SMILES for 2-[(Z)-N-(dimethylamino)-C-methylcarbonimidoyl]-N-methylaniline is CNc1ccccc1/C(C)=N\N(C)C.
What is the InChIKey of 2-[(Z)-N-(dimethylamino)-C-methylcarbonimidoyl]-N-methylaniline?
The InChIKey is LCJAAJNNRJBJEX-LCYFTJDESA-N. The full InChI is InChI=1S/C11H17N3/c1-9(13-14(3)4)10-7-5-6-8-11(10)12-2/h5-8,12H,1-4H3/b13-9-.
What are the key properties of 2-[(Z)-N-(dimethylamino)-C-methylcarbonimidoyl]-N-methylaniline?
2-[(Z)-N-(dimethylamino)-C-methylcarbonimidoyl]-N-methylaniline has a molecular weight of 191.28 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-N-(dimethylamino)-C-methylcarbonimidoyl]-N-methylaniline is sourced from PubChem (CID 90734970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).