ethane;1,1,2,3-tetraethyl-3-methylguanidine

C12H29N3 — CID 143947886

IUPACethane;1,1,2,3-tetraethyl-3-methylguanidine
SMILESCC.CC/N=C(\N(C)CC)N(CC)CC
InChIInChI=1S/C10H23N3.C2H6/c1-6-11-10(12(5)7-2)13(8-3)9-4;1-2/h6-9H2,1-5H3;1-2H3/b11-10+;
InChIKeyICZTWPWTFAPEDM-ASTDGNLGSA-N
MW215.38 g/mol
LogP2.68
Rot. Bonds4

About ethane;1,1,2,3-tetraethyl-3-methylguanidine

ethane;1,1,2,3-tetraethyl-3-methylguanidine (PubChem CID 143947886) has the molecular formula C12H29N3 and a molecular weight of 215.38 g/mol. Its IUPAC name is ethane;1,1,2,3-tetraethyl-3-methylguanidine.

Molecular Properties

Compound Nameethane;1,1,2,3-tetraethyl-3-methylguanidine
PubChem CID143947886
Molecular FormulaC12H29N3
Molecular Weight215.38 g/mol
Exact Mass215.24
IUPAC Nameethane;1,1,2,3-tetraethyl-3-methylguanidine
SMILESCC.CC/N=C(\N(C)CC)N(CC)CC
InChIInChI=1S/C10H23N3.C2H6/c1-6-11-10(12(5)7-2)13(8-3)9-4;1-2/h6-9H2,1-5H3;1-2H3/b11-10+;
InChIKeyICZTWPWTFAPEDM-ASTDGNLGSA-N
XLogP2.68
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze ethane;1,1,2,3-tetraethyl-3-methylguanidine 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 ethane;1,1,2,3-tetraethyl-3-methylguanidine?
The IUPAC name of ethane;1,1,2,3-tetraethyl-3-methylguanidine (CID 143947886) is ethane;1,1,2,3-tetraethyl-3-methylguanidine.
What is the SMILES notation for ethane;1,1,2,3-tetraethyl-3-methylguanidine?
The canonical SMILES for ethane;1,1,2,3-tetraethyl-3-methylguanidine is CC.CC/N=C(\N(C)CC)N(CC)CC.
What is the InChIKey of ethane;1,1,2,3-tetraethyl-3-methylguanidine?
The InChIKey is ICZTWPWTFAPEDM-ASTDGNLGSA-N. The full InChI is InChI=1S/C10H23N3.C2H6/c1-6-11-10(12(5)7-2)13(8-3)9-4;1-2/h6-9H2,1-5H3;1-2H3/b11-10+;.
What are the key properties of ethane;1,1,2,3-tetraethyl-3-methylguanidine?
ethane;1,1,2,3-tetraethyl-3-methylguanidine has a molecular weight of 215.38 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,1,2,3-tetraethyl-3-methylguanidine is sourced from PubChem (CID 143947886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).