ethyl-methyl-(4-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)azanium

C11H16N+ — CID 174194136

IUPACethyl-methyl-(4-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)azanium
SMILESC=C1C=C(C)C=C/C1=[N+](\C)CC
InChIInChI=1S/C11H16N/c1-5-12(4)11-7-6-9(2)8-10(11)3/h6-8H,3,5H2,1-2,4H3/q+1/b12-11-
InChIKeyIAZBFSVNOPNCCM-QXMHVHEDSA-N
MW162.26 g/mol
LogP2.16
Rot. Bonds1

About ethyl-methyl-(4-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)azanium

ethyl-methyl-(4-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)azanium (PubChem CID 174194136) has the molecular formula C11H16N+ and a molecular weight of 162.26 g/mol. Its IUPAC name is ethyl-methyl-(4-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)azanium.

Molecular Properties

Compound Nameethyl-methyl-(4-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)azanium
PubChem CID174194136
Molecular FormulaC11H16N+
Molecular Weight162.26 g/mol
Exact Mass162.13
IUPAC Nameethyl-methyl-(4-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)azanium
SMILESC=C1C=C(C)C=C/C1=[N+](\C)CC
InChIInChI=1S/C11H16N/c1-5-12(4)11-7-6-9(2)8-10(11)3/h6-8H,3,5H2,1-2,4H3/q+1/b12-11-
InChIKeyIAZBFSVNOPNCCM-QXMHVHEDSA-N
XLogP2.16
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.26
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl-methyl-(4-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)azanium?
The IUPAC name of ethyl-methyl-(4-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)azanium (CID 174194136) is ethyl-methyl-(4-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)azanium.
What is the SMILES notation for ethyl-methyl-(4-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)azanium?
The canonical SMILES for ethyl-methyl-(4-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)azanium is C=C1C=C(C)C=C/C1=[N+](\C)CC.
What is the InChIKey of ethyl-methyl-(4-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)azanium?
The InChIKey is IAZBFSVNOPNCCM-QXMHVHEDSA-N. The full InChI is InChI=1S/C11H16N/c1-5-12(4)11-7-6-9(2)8-10(11)3/h6-8H,3,5H2,1-2,4H3/q+1/b12-11-.
What are the key properties of ethyl-methyl-(4-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)azanium?
ethyl-methyl-(4-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)azanium has a molecular weight of 162.26 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-methyl-(4-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)azanium is sourced from PubChem (CID 174194136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).