1,1,3,3-tetraethyl-2-methylguanidine

C10H23N3 — CID 13127996

IUPAC1,1,3,3-tetraethyl-2-methylguanidine
SMILESCCN(CC)C(=NC)N(CC)CC
InChIInChI=1S/C10H23N3/c1-6-12(7-2)10(11-5)13(8-3)9-4/h6-9H2,1-5H3
InChIKeyBQVUNVFDUKRDJB-UHFFFAOYSA-N
MW185.31 g/mol
LogP1.66
Rot. Bonds4

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

1,1,3,3-tetraethyl-2-methylguanidine (PubChem CID 13127996) has the molecular formula C10H23N3 and a molecular weight of 185.31 g/mol. Its IUPAC name is 1,1,3,3-tetraethyl-2-methylguanidine.

Molecular Properties

Compound Name1,1,3,3-tetraethyl-2-methylguanidine
PubChem CID13127996
Molecular FormulaC10H23N3
Molecular Weight185.31 g/mol
Exact Mass185.19
IUPAC Name1,1,3,3-tetraethyl-2-methylguanidine
SMILESCCN(CC)C(=NC)N(CC)CC
InChIInChI=1S/C10H23N3/c1-6-12(7-2)10(11-5)13(8-3)9-4/h6-9H2,1-5H3
InChIKeyBQVUNVFDUKRDJB-UHFFFAOYSA-N
XLogP1.66
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.66
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'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,3,3-tetraethyl-2-methylguanidine?
The IUPAC name of 1,1,3,3-tetraethyl-2-methylguanidine (CID 13127996) is 1,1,3,3-tetraethyl-2-methylguanidine.
What is the SMILES notation for 1,1,3,3-tetraethyl-2-methylguanidine?
The canonical SMILES for 1,1,3,3-tetraethyl-2-methylguanidine is CCN(CC)C(=NC)N(CC)CC.
What is the InChIKey of 1,1,3,3-tetraethyl-2-methylguanidine?
The InChIKey is BQVUNVFDUKRDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3/c1-6-12(7-2)10(11-5)13(8-3)9-4/h6-9H2,1-5H3.
What are the key properties of 1,1,3,3-tetraethyl-2-methylguanidine?
1,1,3,3-tetraethyl-2-methylguanidine has a molecular weight of 185.31 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3-tetraethyl-2-methylguanidine is sourced from PubChem (CID 13127996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).