2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-ethylguanidine

C13H28N4 — CID 62361562

IUPAC2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-ethylguanidine
SMILESCCN/C(N)=N/CC1(N(C)C)CCCC(C)C1
InChIInChI=1S/C13H28N4/c1-5-15-12(14)16-10-13(17(3)4)8-6-7-11(2)9-13/h11H,5-10H2,1-4H3,(H3,14,15,16)
InChIKeyPCMBKOVEPPNKBI-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.42
Rot. Bonds4

About 2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-ethylguanidine

2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-ethylguanidine (PubChem CID 62361562) has the molecular formula C13H28N4 and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-ethylguanidine.

Molecular Properties

Compound Name2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-ethylguanidine
PubChem CID62361562
Molecular FormulaC13H28N4
Molecular Weight240.39 g/mol
Exact Mass240.23
IUPAC Name2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-ethylguanidine
SMILESCCN/C(N)=N/CC1(N(C)C)CCCC(C)C1
InChIInChI=1S/C13H28N4/c1-5-15-12(14)16-10-13(17(3)4)8-6-7-11(2)9-13/h11H,5-10H2,1-4H3,(H3,14,15,16)
InChIKeyPCMBKOVEPPNKBI-UHFFFAOYSA-N
XLogP1.42
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-ethylguanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-ethylguanidine?
The IUPAC name of 2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-ethylguanidine (CID 62361562) is 2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-ethylguanidine.
What is the SMILES notation for 2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-ethylguanidine?
The canonical SMILES for 2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-ethylguanidine is CCN/C(N)=N/CC1(N(C)C)CCCC(C)C1.
What is the InChIKey of 2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-ethylguanidine?
The InChIKey is PCMBKOVEPPNKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4/c1-5-15-12(14)16-10-13(17(3)4)8-6-7-11(2)9-13/h11H,5-10H2,1-4H3,(H3,14,15,16).
What are the key properties of 2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-ethylguanidine?
2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-ethylguanidine has a molecular weight of 240.39 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-ethylguanidine is sourced from PubChem (CID 62361562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).