potassium 4-methanidyl-N,N-dimethylaniline

C9H12KN — CID 135081850

IUPACpotassium 4-methanidyl-N,N-dimethylaniline
SMILES[CH2-]c1ccc(N(C)C)cc1.[K+]
InChIInChI=1S/C9H12N.K/c1-8-4-6-9(7-5-8)10(2)3;/h4-7H,1H2,2-3H3;/q-1;+1
InChIKeyKZLVNXZLXBBJOQ-UHFFFAOYSA-N
MW173.30 g/mol
LogP-1.06
Rot. Bonds1

About potassium 4-methanidyl-N,N-dimethylaniline

potassium 4-methanidyl-N,N-dimethylaniline (PubChem CID 135081850) has the molecular formula C9H12KN and a molecular weight of 173.30 g/mol. Its IUPAC name is potassium 4-methanidyl-N,N-dimethylaniline.

Molecular Properties

Compound Namepotassium 4-methanidyl-N,N-dimethylaniline
PubChem CID135081850
Molecular FormulaC9H12KN
Molecular Weight173.30 g/mol
Exact Mass173.06
IUPAC Namepotassium 4-methanidyl-N,N-dimethylaniline
SMILES[CH2-]c1ccc(N(C)C)cc1.[K+]
InChIInChI=1S/C9H12N.K/c1-8-4-6-9(7-5-8)10(2)3;/h4-7H,1H2,2-3H3;/q-1;+1
InChIKeyKZLVNXZLXBBJOQ-UHFFFAOYSA-N
XLogP-1.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 5-1.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

4-[4-(dimethylamino)phenyl]-N,N-dimethylaniline;ethane
CID 91522137
4-[3-[4-(dimethylamino)phenyl]butan-2-yl]-N,N-dimethylaniline
CID 101124306
CID 10920697
CID 10920697
N,N-dimethylaniline
CID 70392672
4-[[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline
CID 7567
4-[(Z)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline
CID 92530704
4-dimethylalumanyl-N,N-dimethylaniline
CID 42598335
1-N,1-N,4-N-trimethyl-4-N-(4-methylphenyl)benzene-1,4-diamine
CID 18736513
N-[4-(dimethylamino)phenyl]-N-oxidohydroxylamine
CID 163142986
CID 69241188
CID 69241188
N,N-dimethylaniline;mercury
CID 158660084
N,N-dimethylaniline;hydrofluoride
CID 160775229

Frequently Asked Questions

What is the IUPAC name of potassium 4-methanidyl-N,N-dimethylaniline?
The IUPAC name of potassium 4-methanidyl-N,N-dimethylaniline (CID 135081850) is potassium 4-methanidyl-N,N-dimethylaniline.
What is the SMILES notation for potassium 4-methanidyl-N,N-dimethylaniline?
The canonical SMILES for potassium 4-methanidyl-N,N-dimethylaniline is [CH2-]c1ccc(N(C)C)cc1.[K+].
What is the InChIKey of potassium 4-methanidyl-N,N-dimethylaniline?
The InChIKey is KZLVNXZLXBBJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N.K/c1-8-4-6-9(7-5-8)10(2)3;/h4-7H,1H2,2-3H3;/q-1;+1.
What are the key properties of potassium 4-methanidyl-N,N-dimethylaniline?
potassium 4-methanidyl-N,N-dimethylaniline has a molecular weight of 173.30 g/mol, XLogP of -1.06, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 4-methanidyl-N,N-dimethylaniline is sourced from PubChem (CID 135081850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).