4-(4-propan-2-ylcyclohexyl)morpholin-1-ium

C13H26NO+ — CID 147375805

IUPAC4-(4-propan-2-ylcyclohexyl)morpholin-1-ium
SMILESCC(C)C1CCC(N2CC[OH+]CC2)CC1
InChIInChI=1S/C13H25NO/c1-11(2)12-3-5-13(6-4-12)14-7-9-15-10-8-14/h11-13H,3-10H2,1-2H3/p+1
InChIKeyKAFCOEWVAKFVFB-UHFFFAOYSA-O
MW212.36 g/mol
LogP2.04
Rot. Bonds2

About 4-(4-propan-2-ylcyclohexyl)morpholin-1-ium

4-(4-propan-2-ylcyclohexyl)morpholin-1-ium (PubChem CID 147375805) has the molecular formula C13H26NO+ and a molecular weight of 212.36 g/mol. Its IUPAC name is 4-(4-propan-2-ylcyclohexyl)morpholin-1-ium.

Molecular Properties

Compound Name4-(4-propan-2-ylcyclohexyl)morpholin-1-ium
PubChem CID147375805
Molecular FormulaC13H26NO+
Molecular Weight212.36 g/mol
Exact Mass212.20
IUPAC Name4-(4-propan-2-ylcyclohexyl)morpholin-1-ium
SMILESCC(C)C1CCC(N2CC[OH+]CC2)CC1
InChIInChI=1S/C13H25NO/c1-11(2)12-3-5-13(6-4-12)14-7-9-15-10-8-14/h11-13H,3-10H2,1-2H3/p+1
InChIKeyKAFCOEWVAKFVFB-UHFFFAOYSA-O
XLogP2.04
TPSA16.04 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-1-(4-propan-2-ylcyclohexyl)piperidine
CID 58386347
ethane;1-propan-2-yl-4-(4-propan-2-ylcyclohexyl)piperazine
CID 171508742
(3R)-1-cyclopropyl-3-propan-2-ylpyrrolidine
CID 176871343
4-(3-propan-2-ylcyclopentyl)morpholine
CID 165136279
4-phenyl-1-(4-propan-2-ylcyclohexyl)piperidine
CID 142115785
N-methyl-4-(4-propan-2-ylazepan-1-yl)cyclohexan-1-amine
CID 114763376
1-cyclopropyl-4-(3-methylbutan-2-yl)piperidine
CID 155421262
N-methyl-1-(4-propan-2-ylcyclohexyl)piperidin-3-amine
CID 62703750
3-(4-propan-2-ylcyclohexyl)-3,9-diazabicyclo[4.2.1]nonane
CID 113284769
propan-2-ylcyclopropane;hydroiodide
CID 162314014
[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]-[(3S)-3-propan-2-ylpyrrolidin-1-yl]methanone
CID 176797082
3-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]propanoic acid
CID 65059979

Frequently Asked Questions

What is the IUPAC name of 4-(4-propan-2-ylcyclohexyl)morpholin-1-ium?
The IUPAC name of 4-(4-propan-2-ylcyclohexyl)morpholin-1-ium (CID 147375805) is 4-(4-propan-2-ylcyclohexyl)morpholin-1-ium.
What is the SMILES notation for 4-(4-propan-2-ylcyclohexyl)morpholin-1-ium?
The canonical SMILES for 4-(4-propan-2-ylcyclohexyl)morpholin-1-ium is CC(C)C1CCC(N2CC[OH+]CC2)CC1.
What is the InChIKey of 4-(4-propan-2-ylcyclohexyl)morpholin-1-ium?
The InChIKey is KAFCOEWVAKFVFB-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H25NO/c1-11(2)12-3-5-13(6-4-12)14-7-9-15-10-8-14/h11-13H,3-10H2,1-2H3/p+1.
What are the key properties of 4-(4-propan-2-ylcyclohexyl)morpholin-1-ium?
4-(4-propan-2-ylcyclohexyl)morpholin-1-ium has a molecular weight of 212.36 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propan-2-ylcyclohexyl)morpholin-1-ium is sourced from PubChem (CID 147375805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).