1-(2-ethylcyclohexyl)-2-methylguanidine

C10H21N3 — CID 62360103

IUPAC1-(2-ethylcyclohexyl)-2-methylguanidine
SMILESCCC1CCCCC1N/C(N)=N/C
InChIInChI=1S/C10H21N3/c1-3-8-6-4-5-7-9(8)13-10(11)12-2/h8-9H,3-7H2,1-2H3,(H3,11,12,13)
InChIKeyFDMKQCRIDPHLFF-UHFFFAOYSA-N
MW183.30 g/mol
LogP1.49
Rot. Bonds2

About 1-(2-ethylcyclohexyl)-2-methylguanidine

1-(2-ethylcyclohexyl)-2-methylguanidine (PubChem CID 62360103) has the molecular formula C10H21N3 and a molecular weight of 183.30 g/mol. Its IUPAC name is 1-(2-ethylcyclohexyl)-2-methylguanidine.

Molecular Properties

Compound Name1-(2-ethylcyclohexyl)-2-methylguanidine
PubChem CID62360103
Molecular FormulaC10H21N3
Molecular Weight183.30 g/mol
Exact Mass183.17
IUPAC Name1-(2-ethylcyclohexyl)-2-methylguanidine
SMILESCCC1CCCCC1N/C(N)=N/C
InChIInChI=1S/C10H21N3/c1-3-8-6-4-5-7-9(8)13-10(11)12-2/h8-9H,3-7H2,1-2H3,(H3,11,12,13)
InChIKeyFDMKQCRIDPHLFF-UHFFFAOYSA-N
XLogP1.49
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 51.49
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 1-(2-ethylcyclohexyl)-2-methylguanidine?
The IUPAC name of 1-(2-ethylcyclohexyl)-2-methylguanidine (CID 62360103) is 1-(2-ethylcyclohexyl)-2-methylguanidine.
What is the SMILES notation for 1-(2-ethylcyclohexyl)-2-methylguanidine?
The canonical SMILES for 1-(2-ethylcyclohexyl)-2-methylguanidine is CCC1CCCCC1N/C(N)=N/C.
What is the InChIKey of 1-(2-ethylcyclohexyl)-2-methylguanidine?
The InChIKey is FDMKQCRIDPHLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3/c1-3-8-6-4-5-7-9(8)13-10(11)12-2/h8-9H,3-7H2,1-2H3,(H3,11,12,13).
What are the key properties of 1-(2-ethylcyclohexyl)-2-methylguanidine?
1-(2-ethylcyclohexyl)-2-methylguanidine has a molecular weight of 183.30 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylcyclohexyl)-2-methylguanidine is sourced from PubChem (CID 62360103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).