[6-(dimethylamino)cyclohexa-1,5-dien-1-yl]methyl-methyl-methylideneazanium;ethane

C13H24N2 — CID 91202514

IUPAC[6-(dimethylamino)cyclohexa-1,5-dien-1-yl]methyl-methyl-methylideneazanium;ethane
SMILESC=[N+](C)[CH-]C1=CCCC=C1N(C)C.CC
InChIInChI=1S/C11H18N2.C2H6/c1-12(2)9-10-7-5-6-8-11(10)13(3)4;1-2/h7-9H,1,5-6H2,2-4H3;1-2H3
InChIKeyVMJQQPRSRDDKIF-UHFFFAOYSA-N
MW208.35 g/mol
LogP2.68
Rot. Bonds3

About [6-(dimethylamino)cyclohexa-1,5-dien-1-yl]methyl-methyl-methylideneazanium;ethane

[6-(dimethylamino)cyclohexa-1,5-dien-1-yl]methyl-methyl-methylideneazanium;ethane (PubChem CID 91202514) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is [6-(dimethylamino)cyclohexa-1,5-dien-1-yl]methyl-methyl-methylideneazanium;ethane.

Molecular Properties

Compound Name[6-(dimethylamino)cyclohexa-1,5-dien-1-yl]methyl-methyl-methylideneazanium;ethane
PubChem CID91202514
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name[6-(dimethylamino)cyclohexa-1,5-dien-1-yl]methyl-methyl-methylideneazanium;ethane
SMILESC=[N+](C)[CH-]C1=CCCC=C1N(C)C.CC
InChIInChI=1S/C11H18N2.C2H6/c1-12(2)9-10-7-5-6-8-11(10)13(3)4;1-2/h7-9H,1,5-6H2,2-4H3;1-2H3
InChIKeyVMJQQPRSRDDKIF-UHFFFAOYSA-N
XLogP2.68
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [6-(dimethylamino)cyclohexa-1,5-dien-1-yl]methyl-methyl-methylideneazanium;ethane 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

But-2-en-2-yl-(cyclohexa-1,5-dien-1-ylmethylidene)-methylazanium
CID 91801978
N,N-dimethyl-3-methylidene-2H-pyridin-5-amine
CID 123836742
1-[3,4-bis(methylimino)cyclohexa-1,5-dien-1-yl]-N,N-dimethylethenamine
CID 132039809
[6-(Dimethylamino)cyclohexa-1,5-dien-1-yl]methyl-methyl-methylideneazanium
CID 136380176
(2Z)-4-methyl-1-methylidene-2-(4-methyl-1-methylidene-2,5-dihydropyridin-1-ium-2,5-diid-6-ylidene)pyridin-1-ium
CID 140446381
2-[[(Z)-1-(3,4-dihydropyridin-6-yl)prop-1-enyl]iminomethyl]-N,N-dimethylprop-2-en-1-amine
CID 142517657
(2Z,4E)-N-methyl-4-[(Z)-(2-methyl-5-methylidene-4-pyridinylidene)methyl]-N-prop-1-en-2-ylhexa-2,4-dien-3-amine
CID 142584174
(2E)-N,N-dimethyl-2-[3-(prop-1-en-2-yliminomethyl)buta-1,3-dien-2-yl]penta-2,4-dien-1-amine
CID 143030224
ethane;N-(5-ethenyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanimine
CID 143785546
ethane;N-(5-ethenyl-1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanimine
CID 143785621
(2E,3Z)-3-ethylidene-1,5-dimethyl-2-propylidenepyridin-1-ium
CID 144617837
N-[(1Z)-1-(3-ethyl-1-methyl-2-pyridinylidene)-2-methylpropyl]methanimine
CID 156172633

Frequently Asked Questions

What is the IUPAC name of [6-(dimethylamino)cyclohexa-1,5-dien-1-yl]methyl-methyl-methylideneazanium;ethane?
The IUPAC name of [6-(dimethylamino)cyclohexa-1,5-dien-1-yl]methyl-methyl-methylideneazanium;ethane (CID 91202514) is [6-(dimethylamino)cyclohexa-1,5-dien-1-yl]methyl-methyl-methylideneazanium;ethane.
What is the SMILES notation for [6-(dimethylamino)cyclohexa-1,5-dien-1-yl]methyl-methyl-methylideneazanium;ethane?
The canonical SMILES for [6-(dimethylamino)cyclohexa-1,5-dien-1-yl]methyl-methyl-methylideneazanium;ethane is C=[N+](C)[CH-]C1=CCCC=C1N(C)C.CC.
What is the InChIKey of [6-(dimethylamino)cyclohexa-1,5-dien-1-yl]methyl-methyl-methylideneazanium;ethane?
The InChIKey is VMJQQPRSRDDKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2.C2H6/c1-12(2)9-10-7-5-6-8-11(10)13(3)4;1-2/h7-9H,1,5-6H2,2-4H3;1-2H3.
What are the key properties of [6-(dimethylamino)cyclohexa-1,5-dien-1-yl]methyl-methyl-methylideneazanium;ethane?
[6-(dimethylamino)cyclohexa-1,5-dien-1-yl]methyl-methyl-methylideneazanium;ethane has a molecular weight of 208.35 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(dimethylamino)cyclohexa-1,5-dien-1-yl]methyl-methyl-methylideneazanium;ethane is sourced from PubChem (CID 91202514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).