[4-(3-azidopropyl)-5-methylmorpholin-2-yl]methanol

C9H18N4O2 — CID 81219212

IUPAC[4-(3-azidopropyl)-5-methylmorpholin-2-yl]methanol
SMILESCC1COC(CO)CN1CCCN=[N+]=[N-]
InChIInChI=1S/C9H18N4O2/c1-8-7-15-9(6-14)5-13(8)4-2-3-11-12-10/h8-9,14H,2-7H2,1H3
InChIKeyYMJILJSBJWCFLW-UHFFFAOYSA-N
MW214.27 g/mol
LogP0.77
Rot. Bonds5

About [4-(3-azidopropyl)-5-methylmorpholin-2-yl]methanol

[4-(3-azidopropyl)-5-methylmorpholin-2-yl]methanol (PubChem CID 81219212) has the molecular formula C9H18N4O2 and a molecular weight of 214.27 g/mol. Its IUPAC name is [4-(3-azidopropyl)-5-methylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-(3-azidopropyl)-5-methylmorpholin-2-yl]methanol
PubChem CID81219212
Molecular FormulaC9H18N4O2
Molecular Weight214.27 g/mol
Exact Mass214.14
IUPAC Name[4-(3-azidopropyl)-5-methylmorpholin-2-yl]methanol
SMILESCC1COC(CO)CN1CCCN=[N+]=[N-]
InChIInChI=1S/C9H18N4O2/c1-8-7-15-9(6-14)5-13(8)4-2-3-11-12-10/h8-9,14H,2-7H2,1H3
InChIKeyYMJILJSBJWCFLW-UHFFFAOYSA-N
XLogP0.77
TPSA81.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-ol
CID 114286796
[5-methyl-4-(3-methylsulfonylpropyl)morpholin-2-yl]methanol
CID 114286866
[4-(3-azidopropyl)morpholin-2-yl]methanol
CID 81219129
[5-methyl-4-(3-methylbut-2-enyl)morpholin-2-yl]methanol
CID 81218750
[(2S)-4,5-dimethylmorpholin-2-yl]methanol
CID 155290710
[(2R,5S)-4,5-dimethylmorpholin-2-yl]methanol
CID 155291691
[(2S,5R)-4,5-dimethylmorpholin-2-yl]methanol
CID 155290635
4-(3-azidopropyl)-5-ethyl-2-methylmorpholine
CID 61424062
[4-(3-methoxy-3-methylbutyl)-5-methylmorpholin-2-yl]methanol
CID 102977802
1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-2-one
CID 81204259
(2R)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-2-ol
CID 106932860
5-[2-(aminomethyl)-5-methylmorpholin-4-yl]pentan-1-ol
CID 81217514

Frequently Asked Questions

What is the IUPAC name of [4-(3-azidopropyl)-5-methylmorpholin-2-yl]methanol?
The IUPAC name of [4-(3-azidopropyl)-5-methylmorpholin-2-yl]methanol (CID 81219212) is [4-(3-azidopropyl)-5-methylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-(3-azidopropyl)-5-methylmorpholin-2-yl]methanol?
The canonical SMILES for [4-(3-azidopropyl)-5-methylmorpholin-2-yl]methanol is CC1COC(CO)CN1CCCN=[N+]=[N-].
What is the InChIKey of [4-(3-azidopropyl)-5-methylmorpholin-2-yl]methanol?
The InChIKey is YMJILJSBJWCFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O2/c1-8-7-15-9(6-14)5-13(8)4-2-3-11-12-10/h8-9,14H,2-7H2,1H3.
What are the key properties of [4-(3-azidopropyl)-5-methylmorpholin-2-yl]methanol?
[4-(3-azidopropyl)-5-methylmorpholin-2-yl]methanol has a molecular weight of 214.27 g/mol, XLogP of 0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-azidopropyl)-5-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 81219212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).