(8S)-spiro[2.5]octane-8-carboximidamide

C9H16N2 — CID 125457315

IUPAC(8S)-spiro[2.5]octane-8-carboximidamide
SMILES[H]/N=C(\N)[C@H]1CCCCC12CC2
InChIInChI=1S/C9H16N2/c10-8(11)7-3-1-2-4-9(7)5-6-9/h7H,1-6H2,(H3,10,11)/t7-/m1/s1
InChIKeyQZSOMEMVXIUXNX-SSDOTTSWSA-N
MW152.24 g/mol
LogP1.89
Rot. Bonds1

About (8S)-spiro[2.5]octane-8-carboximidamide

(8S)-spiro[2.5]octane-8-carboximidamide (PubChem CID 125457315) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is (8S)-spiro[2.5]octane-8-carboximidamide.

Molecular Properties

Compound Name(8S)-spiro[2.5]octane-8-carboximidamide
PubChem CID125457315
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name(8S)-spiro[2.5]octane-8-carboximidamide
SMILES[H]/N=C(\N)[C@H]1CCCCC12CC2
InChIInChI=1S/C9H16N2/c10-8(11)7-3-1-2-4-9(7)5-6-9/h7H,1-6H2,(H3,10,11)/t7-/m1/s1
InChIKeyQZSOMEMVXIUXNX-SSDOTTSWSA-N
XLogP1.89
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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 (8S)-spiro[2.5]octane-8-carboximidamide?
The IUPAC name of (8S)-spiro[2.5]octane-8-carboximidamide (CID 125457315) is (8S)-spiro[2.5]octane-8-carboximidamide.
What is the SMILES notation for (8S)-spiro[2.5]octane-8-carboximidamide?
The canonical SMILES for (8S)-spiro[2.5]octane-8-carboximidamide is [H]/N=C(\N)[C@H]1CCCCC12CC2.
What is the InChIKey of (8S)-spiro[2.5]octane-8-carboximidamide?
The InChIKey is QZSOMEMVXIUXNX-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H16N2/c10-8(11)7-3-1-2-4-9(7)5-6-9/h7H,1-6H2,(H3,10,11)/t7-/m1/s1.
What are the key properties of (8S)-spiro[2.5]octane-8-carboximidamide?
(8S)-spiro[2.5]octane-8-carboximidamide has a molecular weight of 152.24 g/mol, XLogP of 1.89, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-spiro[2.5]octane-8-carboximidamide is sourced from PubChem (CID 125457315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).