4-(2-methylpropyl)morpholin-4-ium

C8H18NO+ — CID 7269393

IUPAC4-(2-methylpropyl)morpholin-4-ium
SMILESCC(C)C[NH+]1CCOCC1
InChIInChI=1S/C8H17NO/c1-8(2)7-9-3-5-10-6-4-9/h8H,3-7H2,1-2H3/p+1
InChIKeyQKVSMSABRNCNRS-UHFFFAOYSA-O
MW144.24 g/mol
LogP-0.44
Rot. Bonds2

About 4-(2-methylpropyl)morpholin-4-ium

4-(2-methylpropyl)morpholin-4-ium (PubChem CID 7269393) has the molecular formula C8H18NO+ and a molecular weight of 144.24 g/mol. Its IUPAC name is 4-(2-methylpropyl)morpholin-4-ium.

Molecular Properties

Compound Name4-(2-methylpropyl)morpholin-4-ium
PubChem CID7269393
Molecular FormulaC8H18NO+
Molecular Weight144.24 g/mol
Exact Mass144.14
IUPAC Name4-(2-methylpropyl)morpholin-4-ium
SMILESCC(C)C[NH+]1CCOCC1
InChIInChI=1S/C8H17NO/c1-8(2)7-9-3-5-10-6-4-9/h8H,3-7H2,1-2H3/p+1
InChIKeyQKVSMSABRNCNRS-UHFFFAOYSA-O
XLogP-0.44
TPSA13.67 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-Isobutylmorpholine
CID 66306
(4-(2-Methylpropyl)morpholin-2-yl)methanamine
CID 4962206
4-(Morpholin-4-yl)butan-1-amine
CID 233611
2,2-Dimethylmorpholine
CID 18959674
Isobutyl-(3-morpholin-4-yl-propyl)-amine
CID 3151942
Butyl-(3-morpholin-4-yl-propyl)-amine
CID 3151943
1-(2-Propoxyethyl)piperazine
CID 2760475
2-Methyl-3-(morpholin-4-yl)propan-1-amine
CID 17609127
(2-Methoxyethyl)(2-methylpropyl)amine
CID 19107595
Methyl[2-methyl-1-(morpholin-4-yl)propan-2-yl]amine
CID 59535411
[2,2-Dimethyl-3-(morpholin-4-yl)propyl](methyl)amine
CID 62261863
4-Methylmorpholin-4-ium
CID 3862507

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)morpholin-4-ium?
The IUPAC name of 4-(2-methylpropyl)morpholin-4-ium (CID 7269393) is 4-(2-methylpropyl)morpholin-4-ium.
What is the SMILES notation for 4-(2-methylpropyl)morpholin-4-ium?
The canonical SMILES for 4-(2-methylpropyl)morpholin-4-ium is CC(C)C[NH+]1CCOCC1.
What is the InChIKey of 4-(2-methylpropyl)morpholin-4-ium?
The InChIKey is QKVSMSABRNCNRS-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H17NO/c1-8(2)7-9-3-5-10-6-4-9/h8H,3-7H2,1-2H3/p+1.
What are the key properties of 4-(2-methylpropyl)morpholin-4-ium?
4-(2-methylpropyl)morpholin-4-ium has a molecular weight of 144.24 g/mol, XLogP of -0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)morpholin-4-ium is sourced from PubChem (CID 7269393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).