1,1,3,3-tetramethyl-2-(2-propan-2-yloxyethyl)guanidine

C10H23N3O — CID 110032733

IUPAC1,1,3,3-tetramethyl-2-(2-propan-2-yloxyethyl)guanidine
SMILESCC(C)OCCN=C(N(C)C)N(C)C
InChIInChI=1S/C10H23N3O/c1-9(2)14-8-7-11-10(12(3)4)13(5)6/h9H,7-8H2,1-6H3
InChIKeyIRGZVCKPFYKTCD-UHFFFAOYSA-N
MW201.31 g/mol
LogP0.89
Rot. Bonds4

About 1,1,3,3-tetramethyl-2-(2-propan-2-yloxyethyl)guanidine

1,1,3,3-tetramethyl-2-(2-propan-2-yloxyethyl)guanidine (PubChem CID 110032733) has the molecular formula C10H23N3O and a molecular weight of 201.31 g/mol. Its IUPAC name is 1,1,3,3-tetramethyl-2-(2-propan-2-yloxyethyl)guanidine.

Molecular Properties

Compound Name1,1,3,3-tetramethyl-2-(2-propan-2-yloxyethyl)guanidine
PubChem CID110032733
Molecular FormulaC10H23N3O
Molecular Weight201.31 g/mol
Exact Mass201.18
IUPAC Name1,1,3,3-tetramethyl-2-(2-propan-2-yloxyethyl)guanidine
SMILESCC(C)OCCN=C(N(C)C)N(C)C
InChIInChI=1S/C10H23N3O/c1-9(2)14-8-7-11-10(12(3)4)13(5)6/h9H,7-8H2,1-6H3
InChIKeyIRGZVCKPFYKTCD-UHFFFAOYSA-N
XLogP0.89
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1,1,3,3-tetramethyl-2-(2-propan-2-yloxyethyl)guanidine?
The IUPAC name of 1,1,3,3-tetramethyl-2-(2-propan-2-yloxyethyl)guanidine (CID 110032733) is 1,1,3,3-tetramethyl-2-(2-propan-2-yloxyethyl)guanidine.
What is the SMILES notation for 1,1,3,3-tetramethyl-2-(2-propan-2-yloxyethyl)guanidine?
The canonical SMILES for 1,1,3,3-tetramethyl-2-(2-propan-2-yloxyethyl)guanidine is CC(C)OCCN=C(N(C)C)N(C)C.
What is the InChIKey of 1,1,3,3-tetramethyl-2-(2-propan-2-yloxyethyl)guanidine?
The InChIKey is IRGZVCKPFYKTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O/c1-9(2)14-8-7-11-10(12(3)4)13(5)6/h9H,7-8H2,1-6H3.
What are the key properties of 1,1,3,3-tetramethyl-2-(2-propan-2-yloxyethyl)guanidine?
1,1,3,3-tetramethyl-2-(2-propan-2-yloxyethyl)guanidine has a molecular weight of 201.31 g/mol, XLogP of 0.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3-tetramethyl-2-(2-propan-2-yloxyethyl)guanidine is sourced from PubChem (CID 110032733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).