2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butanimidamide

C10H21N3O — CID 104958917

IUPAC2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butanimidamide
SMILES[H]/N=C(\N)C(CC)N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C10H21N3O/c1-4-9(10(11)12)13-5-7(2)14-8(3)6-13/h7-9H,4-6H2,1-3H3,(H3,11,12)/t7-,8+,9?
InChIKeyNPZCHKYBGVRERJ-JVHMLUBASA-N
MW199.30 g/mol
LogP0.81
Rot. Bonds3

About 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butanimidamide

2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butanimidamide (PubChem CID 104958917) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butanimidamide.

Molecular Properties

Compound Name2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butanimidamide
PubChem CID104958917
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butanimidamide
SMILES[H]/N=C(\N)C(CC)N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C10H21N3O/c1-4-9(10(11)12)13-5-7(2)14-8(3)6-13/h7-9H,4-6H2,1-3H3,(H3,11,12)/t7-,8+,9?
InChIKeyNPZCHKYBGVRERJ-JVHMLUBASA-N
XLogP0.81
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

(2R)-2-pyrrolidin-1-ylbutanimidamide
CID 156896295
2-piperazin-1-ylbutanimidamide
CID 54261988
2-(3-morpholin-4-ylpyrrolidin-1-yl)butanimidamide
CID 63170598
2-(4-tert-butylpiperidin-1-yl)butanimidamide
CID 62090215
ethyl (2R)-2-[(2R,6R)-2-carbamoyl-6-methylmorpholin-4-yl]butanoate
CID 124777783
2-(3-hydroxy-3-methylpyrrolidin-1-yl)butanimidamide
CID 103356385
2-[4-(cyclopropylsulfamoyl)piperazin-1-yl]butanimidamide
CID 114813369
1-(4-aminophenyl)-2-(2,6-dimethylmorpholin-4-yl)butan-1-one
CID 82256543
2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanimidamide
CID 62967531
3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]heptan-4-amine
CID 104958469
3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]butanimidamide
CID 102933118
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)butanimidamide
CID 65320528

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butanimidamide?
The IUPAC name of 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butanimidamide (CID 104958917) is 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butanimidamide.
What is the SMILES notation for 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butanimidamide?
The canonical SMILES for 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butanimidamide is [H]/N=C(\N)C(CC)N1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butanimidamide?
The InChIKey is NPZCHKYBGVRERJ-JVHMLUBASA-N. The full InChI is InChI=1S/C10H21N3O/c1-4-9(10(11)12)13-5-7(2)14-8(3)6-13/h7-9H,4-6H2,1-3H3,(H3,11,12)/t7-,8+,9?.
What are the key properties of 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butanimidamide?
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butanimidamide has a molecular weight of 199.30 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butanimidamide is sourced from PubChem (CID 104958917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).