[(1S)-cyclohex-3-en-1-yl]methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium

C14H28N2+2 — CID 6938011

IUPAC[(1S)-cyclohex-3-en-1-yl]methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium
SMILESC[NH+]1CCC([NH+](C)C[C@@H]2CC=CCC2)CC1
InChIInChI=1S/C14H26N2/c1-15-10-8-14(9-11-15)16(2)12-13-6-4-3-5-7-13/h3-4,13-14H,5-12H2,1-2H3/p+2/t13-/m1/s1
InChIKeyXGGBXKRUBUCZOR-CYBMUJFWSA-P
MW224.39 g/mol
LogP-0.47
Rot. Bonds3

About [(1S)-cyclohex-3-en-1-yl]methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium

[(1S)-cyclohex-3-en-1-yl]methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium (PubChem CID 6938011) has the molecular formula C14H28N2+2 and a molecular weight of 224.39 g/mol. Its IUPAC name is [(1S)-cyclohex-3-en-1-yl]methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium.

Molecular Properties

Compound Name[(1S)-cyclohex-3-en-1-yl]methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium
PubChem CID6938011
Molecular FormulaC14H28N2+2
Molecular Weight224.39 g/mol
Exact Mass224.22
IUPAC Name[(1S)-cyclohex-3-en-1-yl]methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium
SMILESC[NH+]1CCC([NH+](C)C[C@@H]2CC=CCC2)CC1
InChIInChI=1S/C14H26N2/c1-15-10-8-14(9-11-15)16(2)12-13-6-4-3-5-7-13/h3-4,13-14H,5-12H2,1-2H3/p+2/t13-/m1/s1
InChIKeyXGGBXKRUBUCZOR-CYBMUJFWSA-P
XLogP-0.47
TPSA8.88 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 5-0.47
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-methyl-(1-methylpiperidin-1-ium-4-yl)azanium 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

methyl-(1-methylpiperidin-1-ium-4-yl)-[(4-propan-2-ylphenyl)methyl]azanium
CID 6939710
[(1R)-cyclohex-3-en-1-yl]methyl-[(2R)-2-hydroxypropyl]-[(2S)-2-hydroxypropyl]azanium
CID 7302621
1-cyclohex-3-en-1-yl-N,N-dimethylmethanamine;ethane
CID 177009709
1-[(2R)-butan-2-yl]-4-[[(1S)-cyclohex-3-en-1-yl]methyl]piperazine-1,4-diium
CID 6593219
4-propylcyclohexene
CID 518777
(4R)-4-(iodomethyl)cyclohexene
CID 11770032
(4R)-4-(methoxymethyl)cyclohexene
CID 124567710
3-cyclohex-3-en-1-ylpropyl(dimethoxy)silane
CID 123278709
1-benzyl-4-[[(1R)-cyclohex-3-en-1-yl]methyl]piperazine-1,4-diium
CID 7320074
benzyl-[[(1R)-cyclohex-3-en-1-yl]methyl]-(2-hydroxyethyl)azanium
CID 6938459
cyclohex-3-en-1-ylmethoxy(trimethyl)silane
CID 11084547
4-[(E)-pent-2-enyl]cyclohexene
CID 91748880

Frequently Asked Questions

What is the IUPAC name of [(1S)-cyclohex-3-en-1-yl]methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium?
The IUPAC name of [(1S)-cyclohex-3-en-1-yl]methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium (CID 6938011) is [(1S)-cyclohex-3-en-1-yl]methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium.
What is the SMILES notation for [(1S)-cyclohex-3-en-1-yl]methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium?
The canonical SMILES for [(1S)-cyclohex-3-en-1-yl]methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium is C[NH+]1CCC([NH+](C)C[C@@H]2CC=CCC2)CC1.
What is the InChIKey of [(1S)-cyclohex-3-en-1-yl]methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium?
The InChIKey is XGGBXKRUBUCZOR-CYBMUJFWSA-P. The full InChI is InChI=1S/C14H26N2/c1-15-10-8-14(9-11-15)16(2)12-13-6-4-3-5-7-13/h3-4,13-14H,5-12H2,1-2H3/p+2/t13-/m1/s1.
What are the key properties of [(1S)-cyclohex-3-en-1-yl]methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium?
[(1S)-cyclohex-3-en-1-yl]methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium has a molecular weight of 224.39 g/mol, XLogP of -0.47, 3 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-methyl-(1-methylpiperidin-1-ium-4-yl)azanium is sourced from PubChem (CID 6938011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).