2-[2-(2,3,5-trimethylpiperidin-1-yl)ethoxy]propanimidamide

C13H27N3O — CID 114266437

IUPAC2-[2-(2,3,5-trimethylpiperidin-1-yl)ethoxy]propanimidamide
SMILES[H]/N=C(\N)C(C)OCCN1CC(C)CC(C)C1C
InChIInChI=1S/C13H27N3O/c1-9-7-10(2)11(3)16(8-9)5-6-17-12(4)13(14)15/h9-12H,5-8H2,1-4H3,(H3,14,15)
InChIKeySAZGVUJXNYALEV-UHFFFAOYSA-N
MW241.38 g/mol
LogP1.69
Rot. Bonds5

About 2-[2-(2,3,5-trimethylpiperidin-1-yl)ethoxy]propanimidamide

2-[2-(2,3,5-trimethylpiperidin-1-yl)ethoxy]propanimidamide (PubChem CID 114266437) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 2-[2-(2,3,5-trimethylpiperidin-1-yl)ethoxy]propanimidamide.

Molecular Properties

Compound Name2-[2-(2,3,5-trimethylpiperidin-1-yl)ethoxy]propanimidamide
PubChem CID114266437
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name2-[2-(2,3,5-trimethylpiperidin-1-yl)ethoxy]propanimidamide
SMILES[H]/N=C(\N)C(C)OCCN1CC(C)CC(C)C1C
InChIInChI=1S/C13H27N3O/c1-9-7-10(2)11(3)16(8-9)5-6-17-12(4)13(14)15/h9-12H,5-8H2,1-4H3,(H3,14,15)
InChIKeySAZGVUJXNYALEV-UHFFFAOYSA-N
XLogP1.69
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 51.69
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

2-(2,3,5-trimethylpiperidin-1-yl)ethanamine
CID 114592249
2-[2-[3-(dimethylamino)piperidin-1-yl]ethoxy]propanimidamide
CID 114266433
2-ethyl-4-(2,3,5-trimethylpiperidin-1-yl)butan-1-amine
CID 114593809
4-(2,3,5-trimethylpiperidin-1-yl)butanethioamide
CID 114593354
2-methyl-2-(propan-2-ylamino)-3-(2,3,5-trimethylpiperidin-1-yl)propanamide
CID 114596342
2-(2,3,5-trimethylpiperidin-1-yl)ethanethiol
CID 114597780
3-[(2,3,5-trimethylpiperidin-1-yl)methyl]benzenecarboximidamide
CID 114593539
4-(2,3,5-trimethylpiperidin-1-yl)butan-1-ol
CID 114594600
2-[2-(2,3,5-trimethylpiperidin-1-yl)ethoxy]aniline
CID 114592202
1-methoxy-3-(2,3,5-trimethylpiperidin-1-yl)propan-2-amine
CID 114593853
4-methoxy-1-(2,3,5-trimethylpiperidin-1-yl)butan-2-amine
CID 114593868
2-(methylamino)-4-(2,3,5-trimethylpiperidin-1-yl)butan-1-ol
CID 114597515

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3,5-trimethylpiperidin-1-yl)ethoxy]propanimidamide?
The IUPAC name of 2-[2-(2,3,5-trimethylpiperidin-1-yl)ethoxy]propanimidamide (CID 114266437) is 2-[2-(2,3,5-trimethylpiperidin-1-yl)ethoxy]propanimidamide.
What is the SMILES notation for 2-[2-(2,3,5-trimethylpiperidin-1-yl)ethoxy]propanimidamide?
The canonical SMILES for 2-[2-(2,3,5-trimethylpiperidin-1-yl)ethoxy]propanimidamide is [H]/N=C(\N)C(C)OCCN1CC(C)CC(C)C1C.
What is the InChIKey of 2-[2-(2,3,5-trimethylpiperidin-1-yl)ethoxy]propanimidamide?
The InChIKey is SAZGVUJXNYALEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-9-7-10(2)11(3)16(8-9)5-6-17-12(4)13(14)15/h9-12H,5-8H2,1-4H3,(H3,14,15).
What are the key properties of 2-[2-(2,3,5-trimethylpiperidin-1-yl)ethoxy]propanimidamide?
2-[2-(2,3,5-trimethylpiperidin-1-yl)ethoxy]propanimidamide has a molecular weight of 241.38 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3,5-trimethylpiperidin-1-yl)ethoxy]propanimidamide is sourced from PubChem (CID 114266437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).