(Z)-1-aminoethylidene-(N-methylanilino)azanium

C9H14N3+ — CID 23268771

IUPAC(Z)-1-aminoethylidene-(N-methylanilino)azanium
SMILESC/C(N)=[NH+]/N(C)c1ccccc1
InChIInChI=1S/C9H13N3/c1-8(10)11-12(2)9-6-4-3-5-7-9/h3-7H,1-2H3,(H2,10,11)/p+1
InChIKeyZITDZRRMGLPTNN-UHFFFAOYSA-O
MW164.23 g/mol
LogP-0.50
Rot. Bonds2

About (Z)-1-aminoethylidene-(N-methylanilino)azanium

(Z)-1-aminoethylidene-(N-methylanilino)azanium (PubChem CID 23268771) has the molecular formula C9H14N3+ and a molecular weight of 164.23 g/mol. Its IUPAC name is (Z)-1-aminoethylidene-(N-methylanilino)azanium.

Molecular Properties

Compound Name(Z)-1-aminoethylidene-(N-methylanilino)azanium
PubChem CID23268771
Molecular FormulaC9H14N3+
Molecular Weight164.23 g/mol
Exact Mass164.12
IUPAC Name(Z)-1-aminoethylidene-(N-methylanilino)azanium
SMILESC/C(N)=[NH+]/N(C)c1ccccc1
InChIInChI=1S/C9H13N3/c1-8(10)11-12(2)9-6-4-3-5-7-9/h3-7H,1-2H3,(H2,10,11)/p+1
InChIKeyZITDZRRMGLPTNN-UHFFFAOYSA-O
XLogP-0.50
TPSA43.23 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethylaniline;methanol
CID 143205399
ethene;N-methyl-N-phenylaniline
CID 144541479
N,N-dimethylaniline
CID 70392672
(Z)-1-(N-aminoanilino)prop-1-en-2-amine;ethane
CID 156860213
1-methyl-1-(N-methylanilino)urea
CID 154254582
(N-methylanilino) carbamate
CID 175107700
N,N-dimethylaniline;hydrofluoride
CID 160775229
N,N-dimethylaniline;mercury
CID 158660084
CID 69241188
CID 69241188
N,N-dimethylaniline;hydron
CID 174471199
N,N-dimethylaniline;nickel
CID 158294400
ethane;bis(N-methyl-N-phenylaniline)
CID 160716887

Frequently Asked Questions

What is the IUPAC name of (Z)-1-aminoethylidene-(N-methylanilino)azanium?
The IUPAC name of (Z)-1-aminoethylidene-(N-methylanilino)azanium (CID 23268771) is (Z)-1-aminoethylidene-(N-methylanilino)azanium.
What is the SMILES notation for (Z)-1-aminoethylidene-(N-methylanilino)azanium?
The canonical SMILES for (Z)-1-aminoethylidene-(N-methylanilino)azanium is C/C(N)=[NH+]/N(C)c1ccccc1.
What is the InChIKey of (Z)-1-aminoethylidene-(N-methylanilino)azanium?
The InChIKey is ZITDZRRMGLPTNN-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H13N3/c1-8(10)11-12(2)9-6-4-3-5-7-9/h3-7H,1-2H3,(H2,10,11)/p+1.
What are the key properties of (Z)-1-aminoethylidene-(N-methylanilino)azanium?
(Z)-1-aminoethylidene-(N-methylanilino)azanium has a molecular weight of 164.23 g/mol, XLogP of -0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-aminoethylidene-(N-methylanilino)azanium is sourced from PubChem (CID 23268771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).