2-amino-6-morpholin-4-ylbenzenecarboximidamide

C11H16N4O — CID 143704993

IUPAC2-amino-6-morpholin-4-ylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1c(N)cccc1N1CCOCC1
InChIInChI=1S/C11H16N4O/c12-8-2-1-3-9(10(8)11(13)14)15-4-6-16-7-5-15/h1-3H,4-7,12H2,(H3,13,14)
InChIKeyNSBSNJSCTWILIB-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.39
Rot. Bonds2

About 2-amino-6-morpholin-4-ylbenzenecarboximidamide

2-amino-6-morpholin-4-ylbenzenecarboximidamide (PubChem CID 143704993) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 2-amino-6-morpholin-4-ylbenzenecarboximidamide.

Molecular Properties

Compound Name2-amino-6-morpholin-4-ylbenzenecarboximidamide
PubChem CID143704993
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name2-amino-6-morpholin-4-ylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1c(N)cccc1N1CCOCC1
InChIInChI=1S/C11H16N4O/c12-8-2-1-3-9(10(8)11(13)14)15-4-6-16-7-5-15/h1-3H,4-7,12H2,(H3,13,14)
InChIKeyNSBSNJSCTWILIB-UHFFFAOYSA-N
XLogP0.39
TPSA88.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-morpholin-4-ylbenzenecarboximidamide?
The IUPAC name of 2-amino-6-morpholin-4-ylbenzenecarboximidamide (CID 143704993) is 2-amino-6-morpholin-4-ylbenzenecarboximidamide.
What is the SMILES notation for 2-amino-6-morpholin-4-ylbenzenecarboximidamide?
The canonical SMILES for 2-amino-6-morpholin-4-ylbenzenecarboximidamide is [H]/N=C(\N)c1c(N)cccc1N1CCOCC1.
What is the InChIKey of 2-amino-6-morpholin-4-ylbenzenecarboximidamide?
The InChIKey is NSBSNJSCTWILIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c12-8-2-1-3-9(10(8)11(13)14)15-4-6-16-7-5-15/h1-3H,4-7,12H2,(H3,13,14).
What are the key properties of 2-amino-6-morpholin-4-ylbenzenecarboximidamide?
2-amino-6-morpholin-4-ylbenzenecarboximidamide has a molecular weight of 220.28 g/mol, XLogP of 0.39, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-morpholin-4-ylbenzenecarboximidamide is sourced from PubChem (CID 143704993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).