[4-(dimethylamino)phenyl]-methylideneazanium

C9H13N2+ — CID 163760685

IUPAC[4-(dimethylamino)phenyl]-methylideneazanium
SMILESC=[NH+]c1ccc(N(C)C)cc1
InChIInChI=1S/C9H12N2/c1-10-8-4-6-9(7-5-8)11(2)3/h4-7H,1H2,2-3H3/p+1
InChIKeyLXXLGKIWIXMQLZ-UHFFFAOYSA-O
MW149.22 g/mol
LogP0.17
Rot. Bonds2

About [4-(dimethylamino)phenyl]-methylideneazanium

[4-(dimethylamino)phenyl]-methylideneazanium (PubChem CID 163760685) has the molecular formula C9H13N2+ and a molecular weight of 149.22 g/mol. Its IUPAC name is [4-(dimethylamino)phenyl]-methylideneazanium.

Molecular Properties

Compound Name[4-(dimethylamino)phenyl]-methylideneazanium
PubChem CID163760685
Molecular FormulaC9H13N2+
Molecular Weight149.22 g/mol
Exact Mass149.11
IUPAC Name[4-(dimethylamino)phenyl]-methylideneazanium
SMILESC=[NH+]c1ccc(N(C)C)cc1
InChIInChI=1S/C9H12N2/c1-10-8-4-6-9(7-5-8)11(2)3/h4-7H,1H2,2-3H3/p+1
InChIKeyLXXLGKIWIXMQLZ-UHFFFAOYSA-O
XLogP0.17
TPSA17.21 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.22
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze [4-(dimethylamino)phenyl]-methylideneazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-(dimethylamino)phenyl]-N,N-dimethylaniline;ethane
CID 91522137
N-[4-(dimethylamino)phenyl]-N-oxidohydroxylamine
CID 163142986
CID 10920697
CID 10920697
[4-[bis[4-(dimethylamino)phenyl]methyl]phenyl]-oxoazanium hydroxide
CID 158176107
N,N-dimethylaniline
CID 70392672
4-[(Z)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline
CID 92530704
potassium 4-methanidyl-N,N-dimethylaniline
CID 135081850
4-[[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline
CID 7567
ethenol;N,N,4-trimethylaniline
CID 161109749
1-N,1-N,4-N-trimethyl-4-N-(4-methylphenyl)benzene-1,4-diamine
CID 18736513
4-dimethylalumanyl-N,N-dimethylaniline
CID 42598335
CID 69241188
CID 69241188

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)phenyl]-methylideneazanium?
The IUPAC name of [4-(dimethylamino)phenyl]-methylideneazanium (CID 163760685) is [4-(dimethylamino)phenyl]-methylideneazanium.
What is the SMILES notation for [4-(dimethylamino)phenyl]-methylideneazanium?
The canonical SMILES for [4-(dimethylamino)phenyl]-methylideneazanium is C=[NH+]c1ccc(N(C)C)cc1.
What is the InChIKey of [4-(dimethylamino)phenyl]-methylideneazanium?
The InChIKey is LXXLGKIWIXMQLZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H12N2/c1-10-8-4-6-9(7-5-8)11(2)3/h4-7H,1H2,2-3H3/p+1.
What are the key properties of [4-(dimethylamino)phenyl]-methylideneazanium?
[4-(dimethylamino)phenyl]-methylideneazanium has a molecular weight of 149.22 g/mol, XLogP of 0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)phenyl]-methylideneazanium is sourced from PubChem (CID 163760685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).