2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-5-methylbenzenecarboximidamide

C14H21N3O2 — CID 107930580

IUPAC2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-5-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(C)ccc1N1CC(CO)OCC1C
InChIInChI=1S/C14H21N3O2/c1-9-3-4-13(12(5-9)14(15)16)17-6-11(7-18)19-8-10(17)2/h3-5,10-11,18H,6-8H2,1-2H3,(H3,15,16)
InChIKeyQZNCLKDOCJLAGC-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.87
Rot. Bonds3

About 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-5-methylbenzenecarboximidamide

2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-5-methylbenzenecarboximidamide (PubChem CID 107930580) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-5-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-5-methylbenzenecarboximidamide
PubChem CID107930580
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-5-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(C)ccc1N1CC(CO)OCC1C
InChIInChI=1S/C14H21N3O2/c1-9-3-4-13(12(5-9)14(15)16)17-6-11(7-18)19-8-10(17)2/h3-5,10-11,18H,6-8H2,1-2H3,(H3,15,16)
InChIKeyQZNCLKDOCJLAGC-UHFFFAOYSA-N
XLogP0.87
TPSA82.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzenecarboximidamide
CID 81202711
2-(2,5-dimethylmorpholin-4-yl)-5-methylbenzenecarboximidamide
CID 107930337
2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-6-methylpyridine-3-carboximidamide
CID 81203604
2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-5-methylbenzonitrile
CID 107927682
[4-(4-amino-2-methylphenyl)-5-methylmorpholin-2-yl]methanol
CID 81206220
2-[2-(hydroxymethyl)morpholin-4-yl]-4-methylbenzenecarboximidamide
CID 81202892
5-bromo-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzenecarbothioamide
CID 114891967
2-(2,5-dimethylmorpholin-4-yl)benzenecarboximidamide
CID 43544651
2-(3,4-dihydroxypyrrolidin-1-yl)-5-methylbenzenecarboximidamide
CID 107930636
5-methyl-2-(2-methylmorpholin-4-yl)benzenecarboximidamide
CID 107930291
2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]pyrimidine-4-carboximidamide
CID 107550636
2-(2,5-dimethylmorpholin-4-yl)-5-methylbenzoic acid
CID 62514825

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-5-methylbenzenecarboximidamide?
The IUPAC name of 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-5-methylbenzenecarboximidamide (CID 107930580) is 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-5-methylbenzenecarboximidamide.
What is the SMILES notation for 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-5-methylbenzenecarboximidamide?
The canonical SMILES for 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-5-methylbenzenecarboximidamide is [H]/N=C(\N)c1cc(C)ccc1N1CC(CO)OCC1C.
What is the InChIKey of 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-5-methylbenzenecarboximidamide?
The InChIKey is QZNCLKDOCJLAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-9-3-4-13(12(5-9)14(15)16)17-6-11(7-18)19-8-10(17)2/h3-5,10-11,18H,6-8H2,1-2H3,(H3,15,16).
What are the key properties of 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-5-methylbenzenecarboximidamide?
2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-5-methylbenzenecarboximidamide has a molecular weight of 263.34 g/mol, XLogP of 0.87, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-5-methylbenzenecarboximidamide is sourced from PubChem (CID 107930580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).