2-hexyl-1,1,3,3-tetramethylguanidine

C11H25N3 — CID 525257

IUPAC2-hexyl-1,1,3,3-tetramethylguanidine
SMILESCCCCCCN=C(N(C)C)N(C)C
InChIInChI=1S/C11H25N3/c1-6-7-8-9-10-12-11(13(2)3)14(4)5/h6-10H2,1-5H3
InChIKeyRWCCDQPHAVOGRH-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.05
Rot. Bonds5

About 2-hexyl-1,1,3,3-tetramethylguanidine

2-hexyl-1,1,3,3-tetramethylguanidine (PubChem CID 525257) has the molecular formula C11H25N3 and a molecular weight of 199.34 g/mol. Its IUPAC name is 2-hexyl-1,1,3,3-tetramethylguanidine.

Molecular Properties

Compound Name2-hexyl-1,1,3,3-tetramethylguanidine
PubChem CID525257
Molecular FormulaC11H25N3
Molecular Weight199.34 g/mol
Exact Mass199.20
IUPAC Name2-hexyl-1,1,3,3-tetramethylguanidine
SMILESCCCCCCN=C(N(C)C)N(C)C
InChIInChI=1S/C11H25N3/c1-6-7-8-9-10-12-11(13(2)3)14(4)5/h6-10H2,1-5H3
InChIKeyRWCCDQPHAVOGRH-UHFFFAOYSA-N
XLogP2.05
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 2-hexyl-1,1,3,3-tetramethylguanidine?
The IUPAC name of 2-hexyl-1,1,3,3-tetramethylguanidine (CID 525257) is 2-hexyl-1,1,3,3-tetramethylguanidine.
What is the SMILES notation for 2-hexyl-1,1,3,3-tetramethylguanidine?
The canonical SMILES for 2-hexyl-1,1,3,3-tetramethylguanidine is CCCCCCN=C(N(C)C)N(C)C.
What is the InChIKey of 2-hexyl-1,1,3,3-tetramethylguanidine?
The InChIKey is RWCCDQPHAVOGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3/c1-6-7-8-9-10-12-11(13(2)3)14(4)5/h6-10H2,1-5H3.
What are the key properties of 2-hexyl-1,1,3,3-tetramethylguanidine?
2-hexyl-1,1,3,3-tetramethylguanidine has a molecular weight of 199.34 g/mol, XLogP of 2.05, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-1,1,3,3-tetramethylguanidine is sourced from PubChem (CID 525257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).