2-(1-methylpiperidin-3-yl)ethanimidamide

C8H17N3 — CID 83676379

IUPAC2-(1-methylpiperidin-3-yl)ethanimidamide
SMILES[H]/N=C(\N)CC1CCCN(C)C1
InChIInChI=1S/C8H17N3/c1-11-4-2-3-7(6-11)5-8(9)10/h7H,2-6H2,1H3,(H3,9,10)
InChIKeyVVBUWAMEVKEVDZ-UHFFFAOYSA-N
MW155.25 g/mol
LogP0.65
Rot. Bonds2

About 2-(1-methylpiperidin-3-yl)ethanimidamide

2-(1-methylpiperidin-3-yl)ethanimidamide (PubChem CID 83676379) has the molecular formula C8H17N3 and a molecular weight of 155.25 g/mol. Its IUPAC name is 2-(1-methylpiperidin-3-yl)ethanimidamide.

Molecular Properties

Compound Name2-(1-methylpiperidin-3-yl)ethanimidamide
PubChem CID83676379
Molecular FormulaC8H17N3
Molecular Weight155.25 g/mol
Exact Mass155.14
IUPAC Name2-(1-methylpiperidin-3-yl)ethanimidamide
SMILES[H]/N=C(\N)CC1CCCN(C)C1
InChIInChI=1S/C8H17N3/c1-11-4-2-3-7(6-11)5-8(9)10/h7H,2-6H2,1H3,(H3,9,10)
InChIKeyVVBUWAMEVKEVDZ-UHFFFAOYSA-N
XLogP0.65
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.25
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-methylpiperidin-3-yl)ethanimidamide?
The IUPAC name of 2-(1-methylpiperidin-3-yl)ethanimidamide (CID 83676379) is 2-(1-methylpiperidin-3-yl)ethanimidamide.
What is the SMILES notation for 2-(1-methylpiperidin-3-yl)ethanimidamide?
The canonical SMILES for 2-(1-methylpiperidin-3-yl)ethanimidamide is [H]/N=C(\N)CC1CCCN(C)C1.
What is the InChIKey of 2-(1-methylpiperidin-3-yl)ethanimidamide?
The InChIKey is VVBUWAMEVKEVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3/c1-11-4-2-3-7(6-11)5-8(9)10/h7H,2-6H2,1H3,(H3,9,10).
What are the key properties of 2-(1-methylpiperidin-3-yl)ethanimidamide?
2-(1-methylpiperidin-3-yl)ethanimidamide has a molecular weight of 155.25 g/mol, XLogP of 0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-3-yl)ethanimidamide is sourced from PubChem (CID 83676379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).