2-cyanoguanidine;3-methylpiperidine

C8H17N5 — CID 130442393

IUPAC2-cyanoguanidine;3-methylpiperidine
SMILESCC1CCCNC1.N#CN=C(N)N
InChIInChI=1S/C6H13N.C2H4N4/c1-6-3-2-4-7-5-6;3-1-6-2(4)5/h6-7H,2-5H2,1H3;(H4,4,5,6)
InChIKeyCSFNBWGTNFARMI-UHFFFAOYSA-N
MW183.26 g/mol
LogP-0.25
Rot. Bonds

About 2-cyanoguanidine;3-methylpiperidine

2-cyanoguanidine;3-methylpiperidine (PubChem CID 130442393) has the molecular formula C8H17N5 and a molecular weight of 183.26 g/mol. Its IUPAC name is 2-cyanoguanidine;3-methylpiperidine.

Molecular Properties

Compound Name2-cyanoguanidine;3-methylpiperidine
PubChem CID130442393
Molecular FormulaC8H17N5
Molecular Weight183.26 g/mol
Exact Mass183.15
IUPAC Name2-cyanoguanidine;3-methylpiperidine
SMILESCC1CCCNC1.N#CN=C(N)N
InChIInChI=1S/C6H13N.C2H4N4/c1-6-3-2-4-7-5-6;3-1-6-2(4)5/h6-7H,2-5H2,1H3;(H4,4,5,6)
InChIKeyCSFNBWGTNFARMI-UHFFFAOYSA-N
XLogP-0.25
TPSA100.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.26
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'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-cyanoguanidine;3-methylpiperidine?
The IUPAC name of 2-cyanoguanidine;3-methylpiperidine (CID 130442393) is 2-cyanoguanidine;3-methylpiperidine.
What is the SMILES notation for 2-cyanoguanidine;3-methylpiperidine?
The canonical SMILES for 2-cyanoguanidine;3-methylpiperidine is CC1CCCNC1.N#CN=C(N)N.
What is the InChIKey of 2-cyanoguanidine;3-methylpiperidine?
The InChIKey is CSFNBWGTNFARMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.C2H4N4/c1-6-3-2-4-7-5-6;3-1-6-2(4)5/h6-7H,2-5H2,1H3;(H4,4,5,6).
What are the key properties of 2-cyanoguanidine;3-methylpiperidine?
2-cyanoguanidine;3-methylpiperidine has a molecular weight of 183.26 g/mol, XLogP of -0.25, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyanoguanidine;3-methylpiperidine is sourced from PubChem (CID 130442393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).