3-(iminomethylideneamino)-N,N-dimethylaniline

C9H11N3 — CID 174368516

IUPAC3-(iminomethylideneamino)-N,N-dimethylaniline
SMILESCN(C)c1cccc(N=C=N)c1
InChIInChI=1S/C9H11N3/c1-12(2)9-5-3-4-8(6-9)11-7-10/h3-6,10H,1-2H3
InChIKeyDWQDPDRPTMEYFE-UHFFFAOYSA-N
MW161.21 g/mol
LogP2.14
Rot. Bonds2

About 3-(iminomethylideneamino)-N,N-dimethylaniline

3-(iminomethylideneamino)-N,N-dimethylaniline (PubChem CID 174368516) has the molecular formula C9H11N3 and a molecular weight of 161.21 g/mol. Its IUPAC name is 3-(iminomethylideneamino)-N,N-dimethylaniline.

Molecular Properties

Compound Name3-(iminomethylideneamino)-N,N-dimethylaniline
PubChem CID174368516
Molecular FormulaC9H11N3
Molecular Weight161.21 g/mol
Exact Mass161.10
IUPAC Name3-(iminomethylideneamino)-N,N-dimethylaniline
SMILESCN(C)c1cccc(N=C=N)c1
InChIInChI=1S/C9H11N3/c1-12(2)9-5-3-4-8(6-9)11-7-10/h3-6,10H,1-2H3
InChIKeyDWQDPDRPTMEYFE-UHFFFAOYSA-N
XLogP2.14
TPSA39.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.21
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(iminomethylideneamino)-N,N-dimethylaniline?
The IUPAC name of 3-(iminomethylideneamino)-N,N-dimethylaniline (CID 174368516) is 3-(iminomethylideneamino)-N,N-dimethylaniline.
What is the SMILES notation for 3-(iminomethylideneamino)-N,N-dimethylaniline?
The canonical SMILES for 3-(iminomethylideneamino)-N,N-dimethylaniline is CN(C)c1cccc(N=C=N)c1.
What is the InChIKey of 3-(iminomethylideneamino)-N,N-dimethylaniline?
The InChIKey is DWQDPDRPTMEYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3/c1-12(2)9-5-3-4-8(6-9)11-7-10/h3-6,10H,1-2H3.
What are the key properties of 3-(iminomethylideneamino)-N,N-dimethylaniline?
3-(iminomethylideneamino)-N,N-dimethylaniline has a molecular weight of 161.21 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(iminomethylideneamino)-N,N-dimethylaniline is sourced from PubChem (CID 174368516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).