[4-(dimethylazaniumyl)cyclohexa-2,5-dien-1-yl]-dimethylazanium

C10H20N2+2 — CID 59076955

IUPAC[4-(dimethylazaniumyl)cyclohexa-2,5-dien-1-yl]-dimethylazanium
SMILESC[NH+](C)C1C=CC([NH+](C)C)C=C1
InChIInChI=1S/C10H18N2/c1-11(2)9-5-7-10(8-6-9)12(3)4/h5-10H,1-4H3/p+2
InChIKeyMVBCQBDRWCEGGI-UHFFFAOYSA-P
MW168.28 g/mol
LogP-1.86
Rot. Bonds2

About [4-(dimethylazaniumyl)cyclohexa-2,5-dien-1-yl]-dimethylazanium

[4-(dimethylazaniumyl)cyclohexa-2,5-dien-1-yl]-dimethylazanium (PubChem CID 59076955) has the molecular formula C10H20N2+2 and a molecular weight of 168.28 g/mol. Its IUPAC name is [4-(dimethylazaniumyl)cyclohexa-2,5-dien-1-yl]-dimethylazanium.

Molecular Properties

Compound Name[4-(dimethylazaniumyl)cyclohexa-2,5-dien-1-yl]-dimethylazanium
PubChem CID59076955
Molecular FormulaC10H20N2+2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name[4-(dimethylazaniumyl)cyclohexa-2,5-dien-1-yl]-dimethylazanium
SMILESC[NH+](C)C1C=CC([NH+](C)C)C=C1
InChIInChI=1S/C10H18N2/c1-11(2)9-5-7-10(8-6-9)12(3)4/h5-10H,1-4H3/p+2
InChIKeyMVBCQBDRWCEGGI-UHFFFAOYSA-P
XLogP-1.86
TPSA8.88 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 5-1.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Pyridine, 1,2,5,6-tetrahydro-2-methyl-
CID 5231252
1-(2-Fluoronona-3,6-dien-5-yl)piperazine
CID 123142512
N-(tert-butyl)cyclohexa-2,5-dien-1-amine
CID 45103373
(E)-1-N,1-N,4-N,4-N-tetramethylpent-2-ene-1,4-diamine
CID 134994560
trimethyl-[(E)-4-(trimethylazaniumyl)pent-2-enyl]azanium
CID 5744779
(E)-N-methylpent-3-en-2-amine
CID 13149679
(E)-N-[(E)-pent-2-enyl]pent-2-en-1-amine
CID 20285914
1,2,5-trimethyl-2,5-dihydro-1H-pyrrol-1-ium
CID 20756098
1-[(E)-pent-3-en-2-yl]piperazine
CID 22628668
N-[2-(3,6-Dihydropyridin-1(2H)-yl)ethyl]-N-methylamine
CID 23121981
N-pent-2-enylpent-2-en-1-amine
CID 53831841
(Z,2S)-N-methylpent-3-en-2-amine
CID 55299533

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylazaniumyl)cyclohexa-2,5-dien-1-yl]-dimethylazanium?
The IUPAC name of [4-(dimethylazaniumyl)cyclohexa-2,5-dien-1-yl]-dimethylazanium (CID 59076955) is [4-(dimethylazaniumyl)cyclohexa-2,5-dien-1-yl]-dimethylazanium.
What is the SMILES notation for [4-(dimethylazaniumyl)cyclohexa-2,5-dien-1-yl]-dimethylazanium?
The canonical SMILES for [4-(dimethylazaniumyl)cyclohexa-2,5-dien-1-yl]-dimethylazanium is C[NH+](C)C1C=CC([NH+](C)C)C=C1.
What is the InChIKey of [4-(dimethylazaniumyl)cyclohexa-2,5-dien-1-yl]-dimethylazanium?
The InChIKey is MVBCQBDRWCEGGI-UHFFFAOYSA-P. The full InChI is InChI=1S/C10H18N2/c1-11(2)9-5-7-10(8-6-9)12(3)4/h5-10H,1-4H3/p+2.
What are the key properties of [4-(dimethylazaniumyl)cyclohexa-2,5-dien-1-yl]-dimethylazanium?
[4-(dimethylazaniumyl)cyclohexa-2,5-dien-1-yl]-dimethylazanium has a molecular weight of 168.28 g/mol, XLogP of -1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylazaniumyl)cyclohexa-2,5-dien-1-yl]-dimethylazanium is sourced from PubChem (CID 59076955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).