[5,5-dimethyl-3-(methylamino)cyclohex-2-en-1-ylidene]-methylazanium

C10H19N2+ — CID 5179436

IUPAC[5,5-dimethyl-3-(methylamino)cyclohex-2-en-1-ylidene]-methylazanium
SMILESCNC1=C/C(=[NH+]\C)CC(C)(C)C1
InChIInChI=1S/C10H18N2/c1-10(2)6-8(11-3)5-9(7-10)12-4/h5,11H,6-7H2,1-4H3/p+1/b12-9+
InChIKeyOZGLSVGOXBCGCP-FMIVXFBMSA-O
MW167.28 g/mol
LogP0.06
Rot. Bonds1

About [5,5-dimethyl-3-(methylamino)cyclohex-2-en-1-ylidene]-methylazanium

[5,5-dimethyl-3-(methylamino)cyclohex-2-en-1-ylidene]-methylazanium (PubChem CID 5179436) has the molecular formula C10H19N2+ and a molecular weight of 167.28 g/mol. Its IUPAC name is [5,5-dimethyl-3-(methylamino)cyclohex-2-en-1-ylidene]-methylazanium.

Molecular Properties

Compound Name[5,5-dimethyl-3-(methylamino)cyclohex-2-en-1-ylidene]-methylazanium
PubChem CID5179436
Molecular FormulaC10H19N2+
Molecular Weight167.28 g/mol
Exact Mass167.15
IUPAC Name[5,5-dimethyl-3-(methylamino)cyclohex-2-en-1-ylidene]-methylazanium
SMILESCNC1=C/C(=[NH+]\C)CC(C)(C)C1
InChIInChI=1S/C10H18N2/c1-10(2)6-8(11-3)5-9(7-10)12-4/h5,11H,6-7H2,1-4H3/p+1/b12-9+
InChIKeyOZGLSVGOXBCGCP-FMIVXFBMSA-O
XLogP0.06
TPSA26.00 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.28
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Cyclohex-1-ene, 1-ethylamino-3-ethylimino-5,5-dimethyl-
CID 130849495
Pyrrolidine, 4,4-dimethyl-2-(4,4,5-trimethyl-1-pyrrolin-2-yl)methylene-
CID 171384716
3-Imino-5,5-dimethyl-1-cyclohexen-1-amine
CID 55289733
(Z)-N,2,2,4-tetramethyl-7-(propylideneamino)oct-6-en-4-amine
CID 91119275
5-methyl-4-[(Z)-2-(methylamino)ethenyl]iminocyclohexen-1-amine
CID 129311820
N,4,4-trimethylcyclohexen-1-amine
CID 134172130
N-[(E)-5-methyl-4-methyliminooct-2-en-2-yl]cyclohexanamine
CID 143440305
4,4-diethyl-N-methylcyclohexen-1-amine
CID 143568027
ethane;N-[(E)-5-methyl-4-methyliminooct-2-en-2-yl]cyclohexanamine
CID 143656319
2-N,5-dimethyl-4-methyliminocyclohex-2-ene-1,2-diamine
CID 144581906
(E)-4-methylimino-4-piperidin-4-ylbut-2-en-2-amine;propane
CID 144740227
(1Z)-N,3,3-trimethyl-1-(3-methylpiperidin-2-ylidene)butan-2-imine
CID 162729141

Frequently Asked Questions

What is the IUPAC name of [5,5-dimethyl-3-(methylamino)cyclohex-2-en-1-ylidene]-methylazanium?
The IUPAC name of [5,5-dimethyl-3-(methylamino)cyclohex-2-en-1-ylidene]-methylazanium (CID 5179436) is [5,5-dimethyl-3-(methylamino)cyclohex-2-en-1-ylidene]-methylazanium.
What is the SMILES notation for [5,5-dimethyl-3-(methylamino)cyclohex-2-en-1-ylidene]-methylazanium?
The canonical SMILES for [5,5-dimethyl-3-(methylamino)cyclohex-2-en-1-ylidene]-methylazanium is CNC1=C/C(=[NH+]\C)CC(C)(C)C1.
What is the InChIKey of [5,5-dimethyl-3-(methylamino)cyclohex-2-en-1-ylidene]-methylazanium?
The InChIKey is OZGLSVGOXBCGCP-FMIVXFBMSA-O. The full InChI is InChI=1S/C10H18N2/c1-10(2)6-8(11-3)5-9(7-10)12-4/h5,11H,6-7H2,1-4H3/p+1/b12-9+.
What are the key properties of [5,5-dimethyl-3-(methylamino)cyclohex-2-en-1-ylidene]-methylazanium?
[5,5-dimethyl-3-(methylamino)cyclohex-2-en-1-ylidene]-methylazanium has a molecular weight of 167.28 g/mol, XLogP of 0.06, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [5,5-dimethyl-3-(methylamino)cyclohex-2-en-1-ylidene]-methylazanium is sourced from PubChem (CID 5179436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).