spiro[2.4]heptane-7-carboximidamide

C8H14N2 — CID 131631947

IUPACspiro[2.4]heptane-7-carboximidamide
SMILES[H]/N=C(\N)C1CCCC12CC2
InChIInChI=1S/C8H14N2/c9-7(10)6-2-1-3-8(6)4-5-8/h6H,1-5H2,(H3,9,10)
InChIKeyJMJJOHKGTLNVIW-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.50
Rot. Bonds1

About spiro[2.4]heptane-7-carboximidamide

spiro[2.4]heptane-7-carboximidamide (PubChem CID 131631947) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is spiro[2.4]heptane-7-carboximidamide.

Molecular Properties

Compound Namespiro[2.4]heptane-7-carboximidamide
PubChem CID131631947
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Namespiro[2.4]heptane-7-carboximidamide
SMILES[H]/N=C(\N)C1CCCC12CC2
InChIInChI=1S/C8H14N2/c9-7(10)6-2-1-3-8(6)4-5-8/h6H,1-5H2,(H3,9,10)
InChIKeyJMJJOHKGTLNVIW-UHFFFAOYSA-N
XLogP1.50
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.50
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 spiro[2.4]heptane-7-carboximidamide?
The IUPAC name of spiro[2.4]heptane-7-carboximidamide (CID 131631947) is spiro[2.4]heptane-7-carboximidamide.
What is the SMILES notation for spiro[2.4]heptane-7-carboximidamide?
The canonical SMILES for spiro[2.4]heptane-7-carboximidamide is [H]/N=C(\N)C1CCCC12CC2.
What is the InChIKey of spiro[2.4]heptane-7-carboximidamide?
The InChIKey is JMJJOHKGTLNVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c9-7(10)6-2-1-3-8(6)4-5-8/h6H,1-5H2,(H3,9,10).
What are the key properties of spiro[2.4]heptane-7-carboximidamide?
spiro[2.4]heptane-7-carboximidamide has a molecular weight of 138.21 g/mol, XLogP of 1.50, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[2.4]heptane-7-carboximidamide is sourced from PubChem (CID 131631947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).