3-cyano-2-cyclohexyl-1-ethyl-1-methylguanidine

C11H20N4 — CID 18727672

IUPAC3-cyano-2-cyclohexyl-1-ethyl-1-methylguanidine
SMILESCCN(C)/C(=N/C1CCCCC1)NC#N
InChIInChI=1S/C11H20N4/c1-3-15(2)11(13-9-12)14-10-7-5-4-6-8-10/h10H,3-8H2,1-2H3,(H,13,14)
InChIKeyNZXCWDPBFJJHHT-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.70
Rot. Bonds2

About 3-cyano-2-cyclohexyl-1-ethyl-1-methylguanidine

3-cyano-2-cyclohexyl-1-ethyl-1-methylguanidine (PubChem CID 18727672) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 3-cyano-2-cyclohexyl-1-ethyl-1-methylguanidine.

Molecular Properties

Compound Name3-cyano-2-cyclohexyl-1-ethyl-1-methylguanidine
PubChem CID18727672
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name3-cyano-2-cyclohexyl-1-ethyl-1-methylguanidine
SMILESCCN(C)/C(=N/C1CCCCC1)NC#N
InChIInChI=1S/C11H20N4/c1-3-15(2)11(13-9-12)14-10-7-5-4-6-8-10/h10H,3-8H2,1-2H3,(H,13,14)
InChIKeyNZXCWDPBFJJHHT-UHFFFAOYSA-N
XLogP1.70
TPSA51.42 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', '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 3-cyano-2-cyclohexyl-1-ethyl-1-methylguanidine?
The IUPAC name of 3-cyano-2-cyclohexyl-1-ethyl-1-methylguanidine (CID 18727672) is 3-cyano-2-cyclohexyl-1-ethyl-1-methylguanidine.
What is the SMILES notation for 3-cyano-2-cyclohexyl-1-ethyl-1-methylguanidine?
The canonical SMILES for 3-cyano-2-cyclohexyl-1-ethyl-1-methylguanidine is CCN(C)/C(=N/C1CCCCC1)NC#N.
What is the InChIKey of 3-cyano-2-cyclohexyl-1-ethyl-1-methylguanidine?
The InChIKey is NZXCWDPBFJJHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-3-15(2)11(13-9-12)14-10-7-5-4-6-8-10/h10H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 3-cyano-2-cyclohexyl-1-ethyl-1-methylguanidine?
3-cyano-2-cyclohexyl-1-ethyl-1-methylguanidine has a molecular weight of 208.31 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-2-cyclohexyl-1-ethyl-1-methylguanidine is sourced from PubChem (CID 18727672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).