methyl-[4-(4-methylanilino)cyclohexa-2,5-dien-1-yl]azanium

C14H19N2+ — CID 123787689

IUPACmethyl-[4-(4-methylanilino)cyclohexa-2,5-dien-1-yl]azanium
SMILESC[NH2+]C1C=CC(Nc2ccc(C)cc2)C=C1
InChIInChI=1S/C14H18N2/c1-11-3-5-13(6-4-11)16-14-9-7-12(15-2)8-10-14/h3-10,12,14-16H,1-2H3/p+1
InChIKeyGRNXLIBAFYPKLA-UHFFFAOYSA-O
MW215.32 g/mol
LogP1.46
Rot. Bonds3

About methyl-[4-(4-methylanilino)cyclohexa-2,5-dien-1-yl]azanium

methyl-[4-(4-methylanilino)cyclohexa-2,5-dien-1-yl]azanium (PubChem CID 123787689) has the molecular formula C14H19N2+ and a molecular weight of 215.32 g/mol. Its IUPAC name is methyl-[4-(4-methylanilino)cyclohexa-2,5-dien-1-yl]azanium.

Molecular Properties

Compound Namemethyl-[4-(4-methylanilino)cyclohexa-2,5-dien-1-yl]azanium
PubChem CID123787689
Molecular FormulaC14H19N2+
Molecular Weight215.32 g/mol
Exact Mass215.15
IUPAC Namemethyl-[4-(4-methylanilino)cyclohexa-2,5-dien-1-yl]azanium
SMILESC[NH2+]C1C=CC(Nc2ccc(C)cc2)C=C1
InChIInChI=1S/C14H18N2/c1-11-3-5-13(6-4-11)16-14-9-7-12(15-2)8-10-14/h3-10,12,14-16H,1-2H3/p+1
InChIKeyGRNXLIBAFYPKLA-UHFFFAOYSA-O
XLogP1.46
TPSA28.64 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-(4-methylphenyl)cyclohepta-2,4,6-trien-1-amine
CID 142301656
[4-[4-(methylamino)anilino]phenyl]-[4-(4-methylanilino)cyclohexa-2,5-dien-1-ylidene]azanium
CID 91360068
N-(4-methylphenyl)pyrrolidin-3-amine
CID 68925011
N-[(1S)-cyclohex-2-en-1-yl]-4-methylaniline
CID 101110107
1-N,1-N'-bis(4-methylphenyl)ethane-1,1-diamine
CID 87484866
N-(4-methylphenyl)-2,3-dihydro-1H-inden-2-amine
CID 15637824
N,4-dimethylaniline;methane
CID 159702289
N,4-dimethylaniline;ethane
CID 90758225
(1R)-2-(4-methylanilino)cyclohexan-1-ol
CID 134547011
trans-(1S,2S)-2-(4-methylanilino)cyclopentan-1-ol
CID 93345908
N-methylmethanamine;1,4-xylene
CID 66760370
3-(4-methylanilino)cyclobutane-1-carboxylic acid
CID 117027720

Frequently Asked Questions

What is the IUPAC name of methyl-[4-(4-methylanilino)cyclohexa-2,5-dien-1-yl]azanium?
The IUPAC name of methyl-[4-(4-methylanilino)cyclohexa-2,5-dien-1-yl]azanium (CID 123787689) is methyl-[4-(4-methylanilino)cyclohexa-2,5-dien-1-yl]azanium.
What is the SMILES notation for methyl-[4-(4-methylanilino)cyclohexa-2,5-dien-1-yl]azanium?
The canonical SMILES for methyl-[4-(4-methylanilino)cyclohexa-2,5-dien-1-yl]azanium is C[NH2+]C1C=CC(Nc2ccc(C)cc2)C=C1.
What is the InChIKey of methyl-[4-(4-methylanilino)cyclohexa-2,5-dien-1-yl]azanium?
The InChIKey is GRNXLIBAFYPKLA-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H18N2/c1-11-3-5-13(6-4-11)16-14-9-7-12(15-2)8-10-14/h3-10,12,14-16H,1-2H3/p+1.
What are the key properties of methyl-[4-(4-methylanilino)cyclohexa-2,5-dien-1-yl]azanium?
methyl-[4-(4-methylanilino)cyclohexa-2,5-dien-1-yl]azanium has a molecular weight of 215.32 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[4-(4-methylanilino)cyclohexa-2,5-dien-1-yl]azanium is sourced from PubChem (CID 123787689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).