2-[1-[(4-ethoxypiperidin-1-yl)methyl]cyclopropyl]ethanimidamide

C13H25N3O — CID 65493754

IUPAC2-[1-[(4-ethoxypiperidin-1-yl)methyl]cyclopropyl]ethanimidamide
SMILES[H]/N=C(\N)CC1(CN2CCC(OCC)CC2)CC1
InChIInChI=1S/C13H25N3O/c1-2-17-11-3-7-16(8-4-11)10-13(5-6-13)9-12(14)15/h11H,2-10H2,1H3,(H3,14,15)
InChIKeyVYEYBKCPKSXNLC-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.59
Rot. Bonds6

About 2-[1-[(4-ethoxypiperidin-1-yl)methyl]cyclopropyl]ethanimidamide

2-[1-[(4-ethoxypiperidin-1-yl)methyl]cyclopropyl]ethanimidamide (PubChem CID 65493754) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-[1-[(4-ethoxypiperidin-1-yl)methyl]cyclopropyl]ethanimidamide.

Molecular Properties

Compound Name2-[1-[(4-ethoxypiperidin-1-yl)methyl]cyclopropyl]ethanimidamide
PubChem CID65493754
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name2-[1-[(4-ethoxypiperidin-1-yl)methyl]cyclopropyl]ethanimidamide
SMILES[H]/N=C(\N)CC1(CN2CCC(OCC)CC2)CC1
InChIInChI=1S/C13H25N3O/c1-2-17-11-3-7-16(8-4-11)10-13(5-6-13)9-12(14)15/h11H,2-10H2,1H3,(H3,14,15)
InChIKeyVYEYBKCPKSXNLC-UHFFFAOYSA-N
XLogP1.59
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.59
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-[1-[(4-ethoxypiperidin-1-yl)methyl]cyclopropyl]ethanimidamide?
The IUPAC name of 2-[1-[(4-ethoxypiperidin-1-yl)methyl]cyclopropyl]ethanimidamide (CID 65493754) is 2-[1-[(4-ethoxypiperidin-1-yl)methyl]cyclopropyl]ethanimidamide.
What is the SMILES notation for 2-[1-[(4-ethoxypiperidin-1-yl)methyl]cyclopropyl]ethanimidamide?
The canonical SMILES for 2-[1-[(4-ethoxypiperidin-1-yl)methyl]cyclopropyl]ethanimidamide is [H]/N=C(\N)CC1(CN2CCC(OCC)CC2)CC1.
What is the InChIKey of 2-[1-[(4-ethoxypiperidin-1-yl)methyl]cyclopropyl]ethanimidamide?
The InChIKey is VYEYBKCPKSXNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-2-17-11-3-7-16(8-4-11)10-13(5-6-13)9-12(14)15/h11H,2-10H2,1H3,(H3,14,15).
What are the key properties of 2-[1-[(4-ethoxypiperidin-1-yl)methyl]cyclopropyl]ethanimidamide?
2-[1-[(4-ethoxypiperidin-1-yl)methyl]cyclopropyl]ethanimidamide has a molecular weight of 239.36 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-ethoxypiperidin-1-yl)methyl]cyclopropyl]ethanimidamide is sourced from PubChem (CID 65493754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).