2-tert-butyl-1,1-bis(2-methoxyethyl)guanidine

C11H25N3O2 — CID 62364543

IUPAC2-tert-butyl-1,1-bis(2-methoxyethyl)guanidine
SMILESCOCCN(CCOC)/C(N)=N/C(C)(C)C
InChIInChI=1S/C11H25N3O2/c1-11(2,3)13-10(12)14(6-8-15-4)7-9-16-5/h6-9H2,1-5H3,(H2,12,13)
InChIKeyXRGJPHLFPRHJCA-UHFFFAOYSA-N
MW231.34 g/mol
LogP0.69
Rot. Bonds6

About 2-tert-butyl-1,1-bis(2-methoxyethyl)guanidine

2-tert-butyl-1,1-bis(2-methoxyethyl)guanidine (PubChem CID 62364543) has the molecular formula C11H25N3O2 and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-tert-butyl-1,1-bis(2-methoxyethyl)guanidine.

Molecular Properties

Compound Name2-tert-butyl-1,1-bis(2-methoxyethyl)guanidine
PubChem CID62364543
Molecular FormulaC11H25N3O2
Molecular Weight231.34 g/mol
Exact Mass231.19
IUPAC Name2-tert-butyl-1,1-bis(2-methoxyethyl)guanidine
SMILESCOCCN(CCOC)/C(N)=N/C(C)(C)C
InChIInChI=1S/C11H25N3O2/c1-11(2,3)13-10(12)14(6-8-15-4)7-9-16-5/h6-9H2,1-5H3,(H2,12,13)
InChIKeyXRGJPHLFPRHJCA-UHFFFAOYSA-N
XLogP0.69
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-1-(2-methoxyethyl)-2-propylguanidine
CID 62364781
3-amino-N,N-bis(2-methoxyethyl)-2,2,3-trimethylbutanamide
CID 65264293
tert-butyl N-(2-amino-2-oxoethyl)-N-(2-methoxyethyl)carbamate
CID 130748777
2-cyclohexyl-1-(2-methoxyethyl)-1-(3-methoxypropyl)guanidine
CID 62361862
1-[2-(diethylamino)ethyl]-1-(2-methoxyethyl)urea
CID 91514388
N-(3-amino-3-hydroxyiminopropyl)-N-(2-methoxyethyl)-3,3-dimethylbutanamide
CID 76994029
2-amino-3,3,3-trifluoro-N,N-bis(2-methoxyethyl)-2-methylpropanamide
CID 79796803
N-[amino-[amino(2-methoxyethyl)amino]methylidene]-2,2,2-trifluoro-N'-methylethanimidamide
CID 148541758
4-[bis(2-methoxyethyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062994
3-amino-1,1,2-tris(2-methoxyethyl)guanidine
CID 104885360
N-(3-amino-3-hydroxyiminopropyl)-N-(2-methoxyethyl)-2-methyl-2-methylsulfonylpropanamide
CID 77015080
methyl N'-tert-butylcarbamimidate
CID 13222079

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1,1-bis(2-methoxyethyl)guanidine?
The IUPAC name of 2-tert-butyl-1,1-bis(2-methoxyethyl)guanidine (CID 62364543) is 2-tert-butyl-1,1-bis(2-methoxyethyl)guanidine.
What is the SMILES notation for 2-tert-butyl-1,1-bis(2-methoxyethyl)guanidine?
The canonical SMILES for 2-tert-butyl-1,1-bis(2-methoxyethyl)guanidine is COCCN(CCOC)/C(N)=N/C(C)(C)C.
What is the InChIKey of 2-tert-butyl-1,1-bis(2-methoxyethyl)guanidine?
The InChIKey is XRGJPHLFPRHJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2/c1-11(2,3)13-10(12)14(6-8-15-4)7-9-16-5/h6-9H2,1-5H3,(H2,12,13).
What are the key properties of 2-tert-butyl-1,1-bis(2-methoxyethyl)guanidine?
2-tert-butyl-1,1-bis(2-methoxyethyl)guanidine has a molecular weight of 231.34 g/mol, XLogP of 0.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1,1-bis(2-methoxyethyl)guanidine is sourced from PubChem (CID 62364543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).