[(1R)-cyclohex-3-en-1-yl]methyl-[2-(dimethylazaniumyl)ethyl]-ethylazanium

C13H28N2+2 — CID 7047116

IUPAC[(1R)-cyclohex-3-en-1-yl]methyl-[2-(dimethylazaniumyl)ethyl]-ethylazanium
SMILESCC[NH+](CC[NH+](C)C)C[C@H]1CC=CCC1
InChIInChI=1S/C13H26N2/c1-4-15(11-10-14(2)3)12-13-8-6-5-7-9-13/h5-6,13H,4,7-12H2,1-3H3/p+2/t13-/m0/s1
InChIKeyTYULUULBIDGUSZ-ZDUSSCGKSA-P
MW212.38 g/mol
LogP-0.61
Rot. Bonds6

About [(1R)-cyclohex-3-en-1-yl]methyl-[2-(dimethylazaniumyl)ethyl]-ethylazanium

[(1R)-cyclohex-3-en-1-yl]methyl-[2-(dimethylazaniumyl)ethyl]-ethylazanium (PubChem CID 7047116) has the molecular formula C13H28N2+2 and a molecular weight of 212.38 g/mol. Its IUPAC name is [(1R)-cyclohex-3-en-1-yl]methyl-[2-(dimethylazaniumyl)ethyl]-ethylazanium.

Molecular Properties

Compound Name[(1R)-cyclohex-3-en-1-yl]methyl-[2-(dimethylazaniumyl)ethyl]-ethylazanium
PubChem CID7047116
Molecular FormulaC13H28N2+2
Molecular Weight212.38 g/mol
Exact Mass212.22
IUPAC Name[(1R)-cyclohex-3-en-1-yl]methyl-[2-(dimethylazaniumyl)ethyl]-ethylazanium
SMILESCC[NH+](CC[NH+](C)C)C[C@H]1CC=CCC1
InChIInChI=1S/C13H26N2/c1-4-15(11-10-14(2)3)12-13-8-6-5-7-9-13/h5-6,13H,4,7-12H2,1-3H3/p+2/t13-/m0/s1
InChIKeyTYULUULBIDGUSZ-ZDUSSCGKSA-P
XLogP-0.61
TPSA8.88 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 5-0.61
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

1-(Cyclohex-3-en-1-ylmethyl)piperazine
CID 3150600
{[(1R)-cyclohex-3-en-1-yl]methyl}(methyl)amine hydrochloride
CID 177798572
{[(1S)-cyclohex-3-en-1-yl]methyl}(methyl)amine hydrochloride
CID 177798581
Cambridge id 5425829
CID 2845835
Piperazine, 1-(3-cyclohexen-1-ylmethyl)-4-ethyl-(9CI)
CID 2845926
Cambridge id 5427223
CID 2845934
Cambridge id 5427294
CID 2845938
Cambridge id 5431361
CID 2846179
1-(aminomethyl)-N-ethyl-4-fluoro-N-methylcyclohex-3-en-1-amine
CID 117626993
1-(aminomethyl)-4-fluoro-N-propylcyclohex-3-en-1-amine
CID 117626994
3-(4-fluorocyclohex-3-en-1-yl)-N-propylpropan-1-amine
CID 143703356
N-[3-[(1S)-4-fluorocyclohexa-2,4-dien-1-yl]propyl]pentan-1-amine
CID 167200118

Frequently Asked Questions

What is the IUPAC name of [(1R)-cyclohex-3-en-1-yl]methyl-[2-(dimethylazaniumyl)ethyl]-ethylazanium?
The IUPAC name of [(1R)-cyclohex-3-en-1-yl]methyl-[2-(dimethylazaniumyl)ethyl]-ethylazanium (CID 7047116) is [(1R)-cyclohex-3-en-1-yl]methyl-[2-(dimethylazaniumyl)ethyl]-ethylazanium.
What is the SMILES notation for [(1R)-cyclohex-3-en-1-yl]methyl-[2-(dimethylazaniumyl)ethyl]-ethylazanium?
The canonical SMILES for [(1R)-cyclohex-3-en-1-yl]methyl-[2-(dimethylazaniumyl)ethyl]-ethylazanium is CC[NH+](CC[NH+](C)C)C[C@H]1CC=CCC1.
What is the InChIKey of [(1R)-cyclohex-3-en-1-yl]methyl-[2-(dimethylazaniumyl)ethyl]-ethylazanium?
The InChIKey is TYULUULBIDGUSZ-ZDUSSCGKSA-P. The full InChI is InChI=1S/C13H26N2/c1-4-15(11-10-14(2)3)12-13-8-6-5-7-9-13/h5-6,13H,4,7-12H2,1-3H3/p+2/t13-/m0/s1.
What are the key properties of [(1R)-cyclohex-3-en-1-yl]methyl-[2-(dimethylazaniumyl)ethyl]-ethylazanium?
[(1R)-cyclohex-3-en-1-yl]methyl-[2-(dimethylazaniumyl)ethyl]-ethylazanium has a molecular weight of 212.38 g/mol, XLogP of -0.61, 6 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-cyclohex-3-en-1-yl]methyl-[2-(dimethylazaniumyl)ethyl]-ethylazanium is sourced from PubChem (CID 7047116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).