[(1S)-cyclohex-3-en-1-yl]methyl-[2-(dimethylazaniumyl)ethyl]-methylazanium

C12H26N2+2 — CID 7445687

IUPAC[(1S)-cyclohex-3-en-1-yl]methyl-[2-(dimethylazaniumyl)ethyl]-methylazanium
SMILESC[NH+](C)CC[NH+](C)C[C@@H]1CC=CCC1
InChIInChI=1S/C12H24N2/c1-13(2)9-10-14(3)11-12-7-5-4-6-8-12/h4-5,12H,6-11H2,1-3H3/p+2/t12-/m1/s1
InChIKeyGACWGUYXVNKKDR-GFCCVEGCSA-P
MW198.35 g/mol
LogP-1.00
Rot. Bonds5

About [(1S)-cyclohex-3-en-1-yl]methyl-[2-(dimethylazaniumyl)ethyl]-methylazanium

[(1S)-cyclohex-3-en-1-yl]methyl-[2-(dimethylazaniumyl)ethyl]-methylazanium (PubChem CID 7445687) has the molecular formula C12H26N2+2 and a molecular weight of 198.35 g/mol. Its IUPAC name is [(1S)-cyclohex-3-en-1-yl]methyl-[2-(dimethylazaniumyl)ethyl]-methylazanium.

Molecular Properties

Compound Name[(1S)-cyclohex-3-en-1-yl]methyl-[2-(dimethylazaniumyl)ethyl]-methylazanium
PubChem CID7445687
Molecular FormulaC12H26N2+2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name[(1S)-cyclohex-3-en-1-yl]methyl-[2-(dimethylazaniumyl)ethyl]-methylazanium
SMILESC[NH+](C)CC[NH+](C)C[C@@H]1CC=CCC1
InChIInChI=1S/C12H24N2/c1-13(2)9-10-14(3)11-12-7-5-4-6-8-12/h4-5,12H,6-11H2,1-3H3/p+2/t12-/m1/s1
InChIKeyGACWGUYXVNKKDR-GFCCVEGCSA-P
XLogP-1.00
TPSA8.88 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [(1S)-cyclohex-3-en-1-yl]methyl-[2-(dimethylazaniumyl)ethyl]-methylazanium 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

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 [(1S)-cyclohex-3-en-1-yl]methyl-[2-(dimethylazaniumyl)ethyl]-methylazanium?
The IUPAC name of [(1S)-cyclohex-3-en-1-yl]methyl-[2-(dimethylazaniumyl)ethyl]-methylazanium (CID 7445687) is [(1S)-cyclohex-3-en-1-yl]methyl-[2-(dimethylazaniumyl)ethyl]-methylazanium.
What is the SMILES notation for [(1S)-cyclohex-3-en-1-yl]methyl-[2-(dimethylazaniumyl)ethyl]-methylazanium?
The canonical SMILES for [(1S)-cyclohex-3-en-1-yl]methyl-[2-(dimethylazaniumyl)ethyl]-methylazanium is C[NH+](C)CC[NH+](C)C[C@@H]1CC=CCC1.
What is the InChIKey of [(1S)-cyclohex-3-en-1-yl]methyl-[2-(dimethylazaniumyl)ethyl]-methylazanium?
The InChIKey is GACWGUYXVNKKDR-GFCCVEGCSA-P. The full InChI is InChI=1S/C12H24N2/c1-13(2)9-10-14(3)11-12-7-5-4-6-8-12/h4-5,12H,6-11H2,1-3H3/p+2/t12-/m1/s1.
What are the key properties of [(1S)-cyclohex-3-en-1-yl]methyl-[2-(dimethylazaniumyl)ethyl]-methylazanium?
[(1S)-cyclohex-3-en-1-yl]methyl-[2-(dimethylazaniumyl)ethyl]-methylazanium has a molecular weight of 198.35 g/mol, XLogP of -1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-cyclohex-3-en-1-yl]methyl-[2-(dimethylazaniumyl)ethyl]-methylazanium is sourced from PubChem (CID 7445687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).