5-(3-ethoxypiperidin-1-yl)-2,2-dimethylpentanimidamide

C14H29N3O — CID 65258373

IUPAC5-(3-ethoxypiperidin-1-yl)-2,2-dimethylpentanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCN1CCCC(OCC)C1
InChIInChI=1S/C14H29N3O/c1-4-18-12-7-5-9-17(11-12)10-6-8-14(2,3)13(15)16/h12H,4-11H2,1-3H3,(H3,15,16)
InChIKeyKWMGTLLHZQODRP-UHFFFAOYSA-N
MW255.41 g/mol
LogP2.23
Rot. Bonds7

About 5-(3-ethoxypiperidin-1-yl)-2,2-dimethylpentanimidamide

5-(3-ethoxypiperidin-1-yl)-2,2-dimethylpentanimidamide (PubChem CID 65258373) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 5-(3-ethoxypiperidin-1-yl)-2,2-dimethylpentanimidamide.

Molecular Properties

Compound Name5-(3-ethoxypiperidin-1-yl)-2,2-dimethylpentanimidamide
PubChem CID65258373
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name5-(3-ethoxypiperidin-1-yl)-2,2-dimethylpentanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCN1CCCC(OCC)C1
InChIInChI=1S/C14H29N3O/c1-4-18-12-7-5-9-17(11-12)10-6-8-14(2,3)13(15)16/h12H,4-11H2,1-3H3,(H3,15,16)
InChIKeyKWMGTLLHZQODRP-UHFFFAOYSA-N
XLogP2.23
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 52.23
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 5-(3-ethoxypiperidin-1-yl)-2,2-dimethylpentanimidamide?
The IUPAC name of 5-(3-ethoxypiperidin-1-yl)-2,2-dimethylpentanimidamide (CID 65258373) is 5-(3-ethoxypiperidin-1-yl)-2,2-dimethylpentanimidamide.
What is the SMILES notation for 5-(3-ethoxypiperidin-1-yl)-2,2-dimethylpentanimidamide?
The canonical SMILES for 5-(3-ethoxypiperidin-1-yl)-2,2-dimethylpentanimidamide is [H]/N=C(\N)C(C)(C)CCCN1CCCC(OCC)C1.
What is the InChIKey of 5-(3-ethoxypiperidin-1-yl)-2,2-dimethylpentanimidamide?
The InChIKey is KWMGTLLHZQODRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-4-18-12-7-5-9-17(11-12)10-6-8-14(2,3)13(15)16/h12H,4-11H2,1-3H3,(H3,15,16).
What are the key properties of 5-(3-ethoxypiperidin-1-yl)-2,2-dimethylpentanimidamide?
5-(3-ethoxypiperidin-1-yl)-2,2-dimethylpentanimidamide has a molecular weight of 255.41 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethoxypiperidin-1-yl)-2,2-dimethylpentanimidamide is sourced from PubChem (CID 65258373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).