1-imidazol-2-ylidene-N,N-dimethylmethanamine

C6H9N3 — CID 10396839

IUPAC1-imidazol-2-ylidene-N,N-dimethylmethanamine
SMILESCN(C)C=C1N=CC=N1
InChIInChI=1S/C6H9N3/c1-9(2)5-6-7-3-4-8-6/h3-5H,1-2H3
InChIKeyCPWVWAMQJRNLIU-UHFFFAOYSA-N
MW123.16 g/mol
LogP0.50
Rot. Bonds1

About 1-imidazol-2-ylidene-N,N-dimethylmethanamine

1-imidazol-2-ylidene-N,N-dimethylmethanamine (PubChem CID 10396839) has the molecular formula C6H9N3 and a molecular weight of 123.16 g/mol. Its IUPAC name is 1-imidazol-2-ylidene-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-imidazol-2-ylidene-N,N-dimethylmethanamine
PubChem CID10396839
Molecular FormulaC6H9N3
Molecular Weight123.16 g/mol
Exact Mass123.08
IUPAC Name1-imidazol-2-ylidene-N,N-dimethylmethanamine
SMILESCN(C)C=C1N=CC=N1
InChIInChI=1S/C6H9N3/c1-9(2)5-6-7-3-4-8-6/h3-5H,1-2H3
InChIKeyCPWVWAMQJRNLIU-UHFFFAOYSA-N
XLogP0.50
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.16
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-imidazol-2-ylidene-N,N-dimethylmethanamine?
The IUPAC name of 1-imidazol-2-ylidene-N,N-dimethylmethanamine (CID 10396839) is 1-imidazol-2-ylidene-N,N-dimethylmethanamine.
What is the SMILES notation for 1-imidazol-2-ylidene-N,N-dimethylmethanamine?
The canonical SMILES for 1-imidazol-2-ylidene-N,N-dimethylmethanamine is CN(C)C=C1N=CC=N1.
What is the InChIKey of 1-imidazol-2-ylidene-N,N-dimethylmethanamine?
The InChIKey is CPWVWAMQJRNLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3/c1-9(2)5-6-7-3-4-8-6/h3-5H,1-2H3.
What are the key properties of 1-imidazol-2-ylidene-N,N-dimethylmethanamine?
1-imidazol-2-ylidene-N,N-dimethylmethanamine has a molecular weight of 123.16 g/mol, XLogP of 0.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazol-2-ylidene-N,N-dimethylmethanamine is sourced from PubChem (CID 10396839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).