2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)butanimidamide

C12H23N3 — CID 65320528

IUPAC2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)butanimidamide
SMILES[H]/N=C(\N)C(CC)N1CCCC2CCCC21
InChIInChI=1S/C12H23N3/c1-2-10(12(13)14)15-8-4-6-9-5-3-7-11(9)15/h9-11H,2-8H2,1H3,(H3,13,14)
InChIKeyJJXQIAKYZGEEMI-UHFFFAOYSA-N
MW209.34 g/mol
LogP1.97
Rot. Bonds3

About 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)butanimidamide

2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)butanimidamide (PubChem CID 65320528) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)butanimidamide.

Molecular Properties

Compound Name2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)butanimidamide
PubChem CID65320528
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)butanimidamide
SMILES[H]/N=C(\N)C(CC)N1CCCC2CCCC21
InChIInChI=1S/C12H23N3/c1-2-10(12(13)14)15-8-4-6-9-5-3-7-11(9)15/h9-11H,2-8H2,1H3,(H3,13,14)
InChIKeyJJXQIAKYZGEEMI-UHFFFAOYSA-N
XLogP1.97
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 51.97
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-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)butanimidamide?
The IUPAC name of 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)butanimidamide (CID 65320528) is 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)butanimidamide.
What is the SMILES notation for 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)butanimidamide?
The canonical SMILES for 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)butanimidamide is [H]/N=C(\N)C(CC)N1CCCC2CCCC21.
What is the InChIKey of 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)butanimidamide?
The InChIKey is JJXQIAKYZGEEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-2-10(12(13)14)15-8-4-6-9-5-3-7-11(9)15/h9-11H,2-8H2,1H3,(H3,13,14).
What are the key properties of 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)butanimidamide?
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)butanimidamide has a molecular weight of 209.34 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)butanimidamide is sourced from PubChem (CID 65320528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).