[(1S,2S)-2-methylcyclohexyl]-(1-methylpiperidin-1-ium-4-yl)azanium

C13H28N2+2 — CID 6935315

IUPAC[(1S,2S)-2-methylcyclohexyl]-(1-methylpiperidin-1-ium-4-yl)azanium
SMILESC[C@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](C)CC1
InChIInChI=1S/C13H26N2/c1-11-5-3-4-6-13(11)14-12-7-9-15(2)10-8-12/h11-14H,3-10H2,1-2H3/p+2/t11-,13-/m0/s1
InChIKeyDCJHMQGYKZDCAZ-AAEUAGOBSA-P
MW212.38 g/mol
LogP-0.19
Rot. Bonds2

About [(1S,2S)-2-methylcyclohexyl]-(1-methylpiperidin-1-ium-4-yl)azanium

[(1S,2S)-2-methylcyclohexyl]-(1-methylpiperidin-1-ium-4-yl)azanium (PubChem CID 6935315) has the molecular formula C13H28N2+2 and a molecular weight of 212.38 g/mol. Its IUPAC name is [(1S,2S)-2-methylcyclohexyl]-(1-methylpiperidin-1-ium-4-yl)azanium.

Molecular Properties

Compound Name[(1S,2S)-2-methylcyclohexyl]-(1-methylpiperidin-1-ium-4-yl)azanium
PubChem CID6935315
Molecular FormulaC13H28N2+2
Molecular Weight212.38 g/mol
Exact Mass212.22
IUPAC Name[(1S,2S)-2-methylcyclohexyl]-(1-methylpiperidin-1-ium-4-yl)azanium
SMILESC[C@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](C)CC1
InChIInChI=1S/C13H26N2/c1-11-5-3-4-6-13(11)14-12-7-9-15(2)10-8-12/h11-14H,3-10H2,1-2H3/p+2/t11-,13-/m0/s1
InChIKeyDCJHMQGYKZDCAZ-AAEUAGOBSA-P
XLogP-0.19
TPSA21.05 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Related Compounds

9H-fluoren-9-yl-[(1R,2S)-2-methylcyclohexyl]azanium
CID 8000704
9H-fluoren-9-yl-[(1S,2S)-2-methylcyclohexyl]azanium
CID 8000708
1,2-dimethylcyclononadecane
CID 123549851
1,2-dimethylcycloicosane
CID 123296856
1,2-dimethylcyclohexane;vanadium
CID 142004480
cis-(1R,2S)-1,2-dimethylcyclohexane;methanamine
CID 142167756
1,2,3-trimethylcycloheptane
CID 54005509
2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-2-ium
CID 154339362
CID 58060881
CID 58060881
(1-methylpiperidin-1-ium-4-yl)azanium
CID 6991936
2-[(1-methylpiperidin-1-ium-4-yl)azaniumyl]acetate
CID 7258867
1-cyclooctyl-4-methylpiperazine-1,4-diium
CID 6938601

Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-methylcyclohexyl]-(1-methylpiperidin-1-ium-4-yl)azanium?
The IUPAC name of [(1S,2S)-2-methylcyclohexyl]-(1-methylpiperidin-1-ium-4-yl)azanium (CID 6935315) is [(1S,2S)-2-methylcyclohexyl]-(1-methylpiperidin-1-ium-4-yl)azanium.
What is the SMILES notation for [(1S,2S)-2-methylcyclohexyl]-(1-methylpiperidin-1-ium-4-yl)azanium?
The canonical SMILES for [(1S,2S)-2-methylcyclohexyl]-(1-methylpiperidin-1-ium-4-yl)azanium is C[C@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](C)CC1.
What is the InChIKey of [(1S,2S)-2-methylcyclohexyl]-(1-methylpiperidin-1-ium-4-yl)azanium?
The InChIKey is DCJHMQGYKZDCAZ-AAEUAGOBSA-P. The full InChI is InChI=1S/C13H26N2/c1-11-5-3-4-6-13(11)14-12-7-9-15(2)10-8-12/h11-14H,3-10H2,1-2H3/p+2/t11-,13-/m0/s1.
What are the key properties of [(1S,2S)-2-methylcyclohexyl]-(1-methylpiperidin-1-ium-4-yl)azanium?
[(1S,2S)-2-methylcyclohexyl]-(1-methylpiperidin-1-ium-4-yl)azanium has a molecular weight of 212.38 g/mol, XLogP of -0.19, 2 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-methylcyclohexyl]-(1-methylpiperidin-1-ium-4-yl)azanium is sourced from PubChem (CID 6935315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).