(4-methylmorpholin-4-ium-4-yl)methanamine

C6H15N2O+ — CID 57313569

IUPAC(4-methylmorpholin-4-ium-4-yl)methanamine
SMILESC[N+]1(CN)CCOCC1
InChIInChI=1S/C6H15N2O/c1-8(6-7)2-4-9-5-3-8/h2-7H2,1H3/q+1
InChIKeyBLOHSKPDZHFQBY-UHFFFAOYSA-N
MW131.20 g/mol
LogP-0.62
Rot. Bonds1

About (4-methylmorpholin-4-ium-4-yl)methanamine

(4-methylmorpholin-4-ium-4-yl)methanamine (PubChem CID 57313569) has the molecular formula C6H15N2O+ and a molecular weight of 131.20 g/mol. Its IUPAC name is (4-methylmorpholin-4-ium-4-yl)methanamine.

Molecular Properties

Compound Name(4-methylmorpholin-4-ium-4-yl)methanamine
PubChem CID57313569
Molecular FormulaC6H15N2O+
Molecular Weight131.20 g/mol
Exact Mass131.12
IUPAC Name(4-methylmorpholin-4-ium-4-yl)methanamine
SMILESC[N+]1(CN)CCOCC1
InChIInChI=1S/C6H15N2O/c1-8(6-7)2-4-9-5-3-8/h2-7H2,1H3/q+1
InChIKeyBLOHSKPDZHFQBY-UHFFFAOYSA-N
XLogP-0.62
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.20
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethylmorpholine-4-carboselenoamide
CID 10922057
2-(4-Morpholino)-1-propylamine
CID 15281814
1-(Morpholin-4-yl)methanamine
CID 17939679
2-(4-Morpholino)-1-ethylamine
CID 21966830
Amino-methylmorpholine
CID 53796705
1-Morpholin-4-ylethenamine
CID 89357145
1-fluoro-N,N-dimethyl-1-morpholin-4-ylmethanamine
CID 25158604
1-fluoro-N,N-dimethyl-1-morpholin-4-ium-4-ylmethanamine
CID 163714279
(1S)-1-fluoro-N-methyl-1-morpholin-4-ylethanamine
CID 163822696
Azido ethyl morpholine
CID 152521833
Morpholino amino ethanol
CID 171037459
N-(1-morpholin-4-ylethyl)methanimine
CID 17938156

Frequently Asked Questions

What is the IUPAC name of (4-methylmorpholin-4-ium-4-yl)methanamine?
The IUPAC name of (4-methylmorpholin-4-ium-4-yl)methanamine (CID 57313569) is (4-methylmorpholin-4-ium-4-yl)methanamine.
What is the SMILES notation for (4-methylmorpholin-4-ium-4-yl)methanamine?
The canonical SMILES for (4-methylmorpholin-4-ium-4-yl)methanamine is C[N+]1(CN)CCOCC1.
What is the InChIKey of (4-methylmorpholin-4-ium-4-yl)methanamine?
The InChIKey is BLOHSKPDZHFQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N2O/c1-8(6-7)2-4-9-5-3-8/h2-7H2,1H3/q+1.
What are the key properties of (4-methylmorpholin-4-ium-4-yl)methanamine?
(4-methylmorpholin-4-ium-4-yl)methanamine has a molecular weight of 131.20 g/mol, XLogP of -0.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylmorpholin-4-ium-4-yl)methanamine is sourced from PubChem (CID 57313569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).