4-methyl-N'-spiro[2.4]heptan-2-ylpiperidine-1-carboximidamide

C14H25N3 — CID 120513564

IUPAC4-methyl-N'-spiro[2.4]heptan-2-ylpiperidine-1-carboximidamide
SMILESCC1CCN(/C(N)=N/C2CC23CCCC3)CC1
InChIInChI=1S/C14H25N3/c1-11-4-8-17(9-5-11)13(15)16-12-10-14(12)6-2-3-7-14/h11-12H,2-10H2,1H3,(H2,15,16)
InChIKeyZZHCFFKRVJMPQV-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.37
Rot. Bonds1

About 4-methyl-N'-spiro[2.4]heptan-2-ylpiperidine-1-carboximidamide

4-methyl-N'-spiro[2.4]heptan-2-ylpiperidine-1-carboximidamide (PubChem CID 120513564) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 4-methyl-N'-spiro[2.4]heptan-2-ylpiperidine-1-carboximidamide.

Molecular Properties

Compound Name4-methyl-N'-spiro[2.4]heptan-2-ylpiperidine-1-carboximidamide
PubChem CID120513564
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name4-methyl-N'-spiro[2.4]heptan-2-ylpiperidine-1-carboximidamide
SMILESCC1CCN(/C(N)=N/C2CC23CCCC3)CC1
InChIInChI=1S/C14H25N3/c1-11-4-8-17(9-5-11)13(15)16-12-10-14(12)6-2-3-7-14/h11-12H,2-10H2,1H3,(H2,15,16)
InChIKeyZZHCFFKRVJMPQV-UHFFFAOYSA-N
XLogP2.37
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.37
H-Bond Donors ≤ 51
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 4-methyl-N'-spiro[2.4]heptan-2-ylpiperidine-1-carboximidamide?
The IUPAC name of 4-methyl-N'-spiro[2.4]heptan-2-ylpiperidine-1-carboximidamide (CID 120513564) is 4-methyl-N'-spiro[2.4]heptan-2-ylpiperidine-1-carboximidamide.
What is the SMILES notation for 4-methyl-N'-spiro[2.4]heptan-2-ylpiperidine-1-carboximidamide?
The canonical SMILES for 4-methyl-N'-spiro[2.4]heptan-2-ylpiperidine-1-carboximidamide is CC1CCN(/C(N)=N/C2CC23CCCC3)CC1.
What is the InChIKey of 4-methyl-N'-spiro[2.4]heptan-2-ylpiperidine-1-carboximidamide?
The InChIKey is ZZHCFFKRVJMPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-11-4-8-17(9-5-11)13(15)16-12-10-14(12)6-2-3-7-14/h11-12H,2-10H2,1H3,(H2,15,16).
What are the key properties of 4-methyl-N'-spiro[2.4]heptan-2-ylpiperidine-1-carboximidamide?
4-methyl-N'-spiro[2.4]heptan-2-ylpiperidine-1-carboximidamide has a molecular weight of 235.37 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N'-spiro[2.4]heptan-2-ylpiperidine-1-carboximidamide is sourced from PubChem (CID 120513564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).