[(1R)-cyclohex-3-en-1-yl]methyl-[2-(diethylazaniumyl)ethyl]-methylazanium

C14H30N2+2 — CID 6943074

IUPAC[(1R)-cyclohex-3-en-1-yl]methyl-[2-(diethylazaniumyl)ethyl]-methylazanium
SMILESCC[NH+](CC)CC[NH+](C)C[C@H]1CC=CCC1
InChIInChI=1S/C14H28N2/c1-4-16(5-2)12-11-15(3)13-14-9-7-6-8-10-14/h6-7,14H,4-5,8-13H2,1-3H3/p+2/t14-/m0/s1
InChIKeyJMUOSMWJHAUVRN-AWEZNQCLSA-P
MW226.41 g/mol
LogP-0.22
Rot. Bonds7

About [(1R)-cyclohex-3-en-1-yl]methyl-[2-(diethylazaniumyl)ethyl]-methylazanium

[(1R)-cyclohex-3-en-1-yl]methyl-[2-(diethylazaniumyl)ethyl]-methylazanium (PubChem CID 6943074) has the molecular formula C14H30N2+2 and a molecular weight of 226.41 g/mol. Its IUPAC name is [(1R)-cyclohex-3-en-1-yl]methyl-[2-(diethylazaniumyl)ethyl]-methylazanium.

Molecular Properties

Compound Name[(1R)-cyclohex-3-en-1-yl]methyl-[2-(diethylazaniumyl)ethyl]-methylazanium
PubChem CID6943074
Molecular FormulaC14H30N2+2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name[(1R)-cyclohex-3-en-1-yl]methyl-[2-(diethylazaniumyl)ethyl]-methylazanium
SMILESCC[NH+](CC)CC[NH+](C)C[C@H]1CC=CCC1
InChIInChI=1S/C14H28N2/c1-4-16(5-2)12-11-15(3)13-14-9-7-6-8-10-14/h6-7,14H,4-5,8-13H2,1-3H3/p+2/t14-/m0/s1
InChIKeyJMUOSMWJHAUVRN-AWEZNQCLSA-P
XLogP-0.22
TPSA8.88 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 5-0.22
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-(diethylazaniumyl)ethyl]-methylazanium?
The IUPAC name of [(1R)-cyclohex-3-en-1-yl]methyl-[2-(diethylazaniumyl)ethyl]-methylazanium (CID 6943074) is [(1R)-cyclohex-3-en-1-yl]methyl-[2-(diethylazaniumyl)ethyl]-methylazanium.
What is the SMILES notation for [(1R)-cyclohex-3-en-1-yl]methyl-[2-(diethylazaniumyl)ethyl]-methylazanium?
The canonical SMILES for [(1R)-cyclohex-3-en-1-yl]methyl-[2-(diethylazaniumyl)ethyl]-methylazanium is CC[NH+](CC)CC[NH+](C)C[C@H]1CC=CCC1.
What is the InChIKey of [(1R)-cyclohex-3-en-1-yl]methyl-[2-(diethylazaniumyl)ethyl]-methylazanium?
The InChIKey is JMUOSMWJHAUVRN-AWEZNQCLSA-P. The full InChI is InChI=1S/C14H28N2/c1-4-16(5-2)12-11-15(3)13-14-9-7-6-8-10-14/h6-7,14H,4-5,8-13H2,1-3H3/p+2/t14-/m0/s1.
What are the key properties of [(1R)-cyclohex-3-en-1-yl]methyl-[2-(diethylazaniumyl)ethyl]-methylazanium?
[(1R)-cyclohex-3-en-1-yl]methyl-[2-(diethylazaniumyl)ethyl]-methylazanium has a molecular weight of 226.41 g/mol, XLogP of -0.22, 7 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-(diethylazaniumyl)ethyl]-methylazanium is sourced from PubChem (CID 6943074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).