3-amino-4-piperidin-1-ylbut-2-enimidamide

C9H18N4 — CID 173478600

IUPAC3-amino-4-piperidin-1-ylbut-2-enimidamide
SMILES[H]/N=C(\N)C=C(N)CN1CCCCC1
InChIInChI=1S/C9H18N4/c10-8(6-9(11)12)7-13-4-2-1-3-5-13/h6H,1-5,7,10H2,(H3,11,12)
InChIKeyAFVRWGDYGAVFCV-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.25
Rot. Bonds3

About 3-amino-4-piperidin-1-ylbut-2-enimidamide

3-amino-4-piperidin-1-ylbut-2-enimidamide (PubChem CID 173478600) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is 3-amino-4-piperidin-1-ylbut-2-enimidamide.

Molecular Properties

Compound Name3-amino-4-piperidin-1-ylbut-2-enimidamide
PubChem CID173478600
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC Name3-amino-4-piperidin-1-ylbut-2-enimidamide
SMILES[H]/N=C(\N)C=C(N)CN1CCCCC1
InChIInChI=1S/C9H18N4/c10-8(6-9(11)12)7-13-4-2-1-3-5-13/h6H,1-5,7,10H2,(H3,11,12)
InChIKeyAFVRWGDYGAVFCV-UHFFFAOYSA-N
XLogP0.25
TPSA79.13 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.25
H-Bond Donors ≤ 53
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 3-amino-4-piperidin-1-ylbut-2-enimidamide?
The IUPAC name of 3-amino-4-piperidin-1-ylbut-2-enimidamide (CID 173478600) is 3-amino-4-piperidin-1-ylbut-2-enimidamide.
What is the SMILES notation for 3-amino-4-piperidin-1-ylbut-2-enimidamide?
The canonical SMILES for 3-amino-4-piperidin-1-ylbut-2-enimidamide is [H]/N=C(\N)C=C(N)CN1CCCCC1.
What is the InChIKey of 3-amino-4-piperidin-1-ylbut-2-enimidamide?
The InChIKey is AFVRWGDYGAVFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4/c10-8(6-9(11)12)7-13-4-2-1-3-5-13/h6H,1-5,7,10H2,(H3,11,12).
What are the key properties of 3-amino-4-piperidin-1-ylbut-2-enimidamide?
3-amino-4-piperidin-1-ylbut-2-enimidamide has a molecular weight of 182.27 g/mol, XLogP of 0.25, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-piperidin-1-ylbut-2-enimidamide is sourced from PubChem (CID 173478600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).