2,2-dimethyl-5-(2-methylmorpholin-4-yl)pentanimidamide

C12H25N3O — CID 65258854

IUPAC2,2-dimethyl-5-(2-methylmorpholin-4-yl)pentanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCN1CCOC(C)C1
InChIInChI=1S/C12H25N3O/c1-10-9-15(7-8-16-10)6-4-5-12(2,3)11(13)14/h10H,4-9H2,1-3H3,(H3,13,14)
InChIKeyHWBMLTWPZRRMPC-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.45
Rot. Bonds5

About 2,2-dimethyl-5-(2-methylmorpholin-4-yl)pentanimidamide

2,2-dimethyl-5-(2-methylmorpholin-4-yl)pentanimidamide (PubChem CID 65258854) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 2,2-dimethyl-5-(2-methylmorpholin-4-yl)pentanimidamide.

Molecular Properties

Compound Name2,2-dimethyl-5-(2-methylmorpholin-4-yl)pentanimidamide
PubChem CID65258854
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name2,2-dimethyl-5-(2-methylmorpholin-4-yl)pentanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCN1CCOC(C)C1
InChIInChI=1S/C12H25N3O/c1-10-9-15(7-8-16-10)6-4-5-12(2,3)11(13)14/h10H,4-9H2,1-3H3,(H3,13,14)
InChIKeyHWBMLTWPZRRMPC-UHFFFAOYSA-N
XLogP1.45
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.45
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 2,2-dimethyl-5-(2-methylmorpholin-4-yl)pentanimidamide?
The IUPAC name of 2,2-dimethyl-5-(2-methylmorpholin-4-yl)pentanimidamide (CID 65258854) is 2,2-dimethyl-5-(2-methylmorpholin-4-yl)pentanimidamide.
What is the SMILES notation for 2,2-dimethyl-5-(2-methylmorpholin-4-yl)pentanimidamide?
The canonical SMILES for 2,2-dimethyl-5-(2-methylmorpholin-4-yl)pentanimidamide is [H]/N=C(\N)C(C)(C)CCCN1CCOC(C)C1.
What is the InChIKey of 2,2-dimethyl-5-(2-methylmorpholin-4-yl)pentanimidamide?
The InChIKey is HWBMLTWPZRRMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-10-9-15(7-8-16-10)6-4-5-12(2,3)11(13)14/h10H,4-9H2,1-3H3,(H3,13,14).
What are the key properties of 2,2-dimethyl-5-(2-methylmorpholin-4-yl)pentanimidamide?
2,2-dimethyl-5-(2-methylmorpholin-4-yl)pentanimidamide has a molecular weight of 227.35 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-(2-methylmorpholin-4-yl)pentanimidamide is sourced from PubChem (CID 65258854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).