4-(cyclopentylmethyl)-4-methylmorpholin-4-ium

C11H22NO+ — CID 20666194

IUPAC4-(cyclopentylmethyl)-4-methylmorpholin-4-ium
SMILESC[N+]1(CC2CCCC2)CCOCC1
InChIInChI=1S/C11H22NO/c1-12(6-8-13-9-7-12)10-11-4-2-3-5-11/h11H,2-10H2,1H3/q+1
InChIKeyCWVXFNIJIUQYEA-UHFFFAOYSA-N
MW184.30 g/mol
LogP1.65
Rot. Bonds2

About 4-(cyclopentylmethyl)-4-methylmorpholin-4-ium

4-(cyclopentylmethyl)-4-methylmorpholin-4-ium (PubChem CID 20666194) has the molecular formula C11H22NO+ and a molecular weight of 184.30 g/mol. Its IUPAC name is 4-(cyclopentylmethyl)-4-methylmorpholin-4-ium.

Molecular Properties

Compound Name4-(cyclopentylmethyl)-4-methylmorpholin-4-ium
PubChem CID20666194
Molecular FormulaC11H22NO+
Molecular Weight184.30 g/mol
Exact Mass184.17
IUPAC Name4-(cyclopentylmethyl)-4-methylmorpholin-4-ium
SMILESC[N+]1(CC2CCCC2)CCOCC1
InChIInChI=1S/C11H22NO/c1-12(6-8-13-9-7-12)10-11-4-2-3-5-11/h11H,2-10H2,1H3/q+1
InChIKeyCWVXFNIJIUQYEA-UHFFFAOYSA-N
XLogP1.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.30
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 4-(cyclopentylmethyl)-4-methylmorpholin-4-ium 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

4-(Cyclohexylmethyl)morpholine
CID 641545
4-(2-Methylpentyl)morpholine
CID 20201055
4-(Cyclopentylmethyl)morpholine
CID 13809705
4-(2-Methyloctyl)morpholine
CID 15317280
4-(3,4-Dimethylpentyl)morpholine
CID 15370628
4-(2-Methylhexyl)morpholine
CID 102491214
4-(2-Ethylhexyl)morpholine
CID 250521
4-(4-Propylheptan-4-yl)morpholine
CID 3049087
4-(4-Methylpentan-2-yl)morpholine
CID 13398802
3-Fluoro-1-(2-methoxyethyl)-4-methylpiperidine
CID 131199822
4-[4-(3-Fluorocyclopentyl)-3-methylpentyl]morpholine
CID 138617893
(3R,4R)-3-fluoro-1-(2-methoxyethyl)-4-methylpiperidine
CID 171531648

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylmethyl)-4-methylmorpholin-4-ium?
The IUPAC name of 4-(cyclopentylmethyl)-4-methylmorpholin-4-ium (CID 20666194) is 4-(cyclopentylmethyl)-4-methylmorpholin-4-ium.
What is the SMILES notation for 4-(cyclopentylmethyl)-4-methylmorpholin-4-ium?
The canonical SMILES for 4-(cyclopentylmethyl)-4-methylmorpholin-4-ium is C[N+]1(CC2CCCC2)CCOCC1.
What is the InChIKey of 4-(cyclopentylmethyl)-4-methylmorpholin-4-ium?
The InChIKey is CWVXFNIJIUQYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22NO/c1-12(6-8-13-9-7-12)10-11-4-2-3-5-11/h11H,2-10H2,1H3/q+1.
What are the key properties of 4-(cyclopentylmethyl)-4-methylmorpholin-4-ium?
4-(cyclopentylmethyl)-4-methylmorpholin-4-ium has a molecular weight of 184.30 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylmethyl)-4-methylmorpholin-4-ium is sourced from PubChem (CID 20666194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).