[(Z)-2-(dimethylamino)ethenyl]-methylcyanamide

C6H11N3 — CID 137394777

IUPAC[(Z)-2-(dimethylamino)ethenyl]-methylcyanamide
SMILESCN(C)/C=C\N(C)C#N
InChIInChI=1S/C6H11N3/c1-8(2)4-5-9(3)6-7/h4-5H,1-3H3/b5-4-
InChIKeyVIWSVAVHDJWBSD-PLNGDYQASA-N
MW125.17 g/mol
LogP0.43
Rot. Bonds2

About [(Z)-2-(dimethylamino)ethenyl]-methylcyanamide

[(Z)-2-(dimethylamino)ethenyl]-methylcyanamide (PubChem CID 137394777) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is [(Z)-2-(dimethylamino)ethenyl]-methylcyanamide.

Molecular Properties

Compound Name[(Z)-2-(dimethylamino)ethenyl]-methylcyanamide
PubChem CID137394777
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name[(Z)-2-(dimethylamino)ethenyl]-methylcyanamide
SMILESCN(C)/C=C\N(C)C#N
InChIInChI=1S/C6H11N3/c1-8(2)4-5-9(3)6-7/h4-5H,1-3H3/b5-4-
InChIKeyVIWSVAVHDJWBSD-PLNGDYQASA-N
XLogP0.43
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(Z)-2-(dimethylamino)ethenyl]-methylcyanamide?
The IUPAC name of [(Z)-2-(dimethylamino)ethenyl]-methylcyanamide (CID 137394777) is [(Z)-2-(dimethylamino)ethenyl]-methylcyanamide.
What is the SMILES notation for [(Z)-2-(dimethylamino)ethenyl]-methylcyanamide?
The canonical SMILES for [(Z)-2-(dimethylamino)ethenyl]-methylcyanamide is CN(C)/C=C\N(C)C#N.
What is the InChIKey of [(Z)-2-(dimethylamino)ethenyl]-methylcyanamide?
The InChIKey is VIWSVAVHDJWBSD-PLNGDYQASA-N. The full InChI is InChI=1S/C6H11N3/c1-8(2)4-5-9(3)6-7/h4-5H,1-3H3/b5-4-.
What are the key properties of [(Z)-2-(dimethylamino)ethenyl]-methylcyanamide?
[(Z)-2-(dimethylamino)ethenyl]-methylcyanamide has a molecular weight of 125.17 g/mol, XLogP of 0.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-(dimethylamino)ethenyl]-methylcyanamide is sourced from PubChem (CID 137394777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).