2-methyl-3-morpholin-4-ylpropanimidamide

C8H17N3O — CID 43174996

IUPAC2-methyl-3-morpholin-4-ylpropanimidamide
SMILES[H]/N=C(\N)C(C)CN1CCOCC1
InChIInChI=1S/C8H17N3O/c1-7(8(9)10)6-11-2-4-12-5-3-11/h7H,2-6H2,1H3,(H3,9,10)
InChIKeyFGDGRLBSMDJCCI-UHFFFAOYSA-N
MW171.24 g/mol
LogP-0.11
Rot. Bonds3

About 2-methyl-3-morpholin-4-ylpropanimidamide

2-methyl-3-morpholin-4-ylpropanimidamide (PubChem CID 43174996) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-methyl-3-morpholin-4-ylpropanimidamide.

Molecular Properties

Compound Name2-methyl-3-morpholin-4-ylpropanimidamide
PubChem CID43174996
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name2-methyl-3-morpholin-4-ylpropanimidamide
SMILES[H]/N=C(\N)C(C)CN1CCOCC1
InChIInChI=1S/C8H17N3O/c1-7(8(9)10)6-11-2-4-12-5-3-11/h7H,2-6H2,1H3,(H3,9,10)
InChIKeyFGDGRLBSMDJCCI-UHFFFAOYSA-N
XLogP-0.11
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 5-0.11
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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-morpholin-4-ylpropanimidamide?
The IUPAC name of 2-methyl-3-morpholin-4-ylpropanimidamide (CID 43174996) is 2-methyl-3-morpholin-4-ylpropanimidamide.
What is the SMILES notation for 2-methyl-3-morpholin-4-ylpropanimidamide?
The canonical SMILES for 2-methyl-3-morpholin-4-ylpropanimidamide is [H]/N=C(\N)C(C)CN1CCOCC1.
What is the InChIKey of 2-methyl-3-morpholin-4-ylpropanimidamide?
The InChIKey is FGDGRLBSMDJCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-7(8(9)10)6-11-2-4-12-5-3-11/h7H,2-6H2,1H3,(H3,9,10).
What are the key properties of 2-methyl-3-morpholin-4-ylpropanimidamide?
2-methyl-3-morpholin-4-ylpropanimidamide has a molecular weight of 171.24 g/mol, XLogP of -0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-morpholin-4-ylpropanimidamide is sourced from PubChem (CID 43174996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).