N'-amino-3,5-ditert-butyl-4-(2-methoxyethoxymethoxy)benzenecarboximidamide

C19H33N3O3 — CID 67789663

IUPACN'-amino-3,5-ditert-butyl-4-(2-methoxyethoxymethoxy)benzenecarboximidamide
SMILESCOCCOCOc1c(C(C)(C)C)cc(C(N)=NN)cc1C(C)(C)C
InChIInChI=1S/C19H33N3O3/c1-18(2,3)14-10-13(17(20)22-21)11-15(19(4,5)6)16(14)25-12-24-9-8-23-7/h10-11H,8-9,12,21H2,1-7H3,(H2,20,22)
InChIKeyPESKRILVHJEHFQ-UHFFFAOYSA-N
MW351.49 g/mol
LogP2.86
Rot. Bonds7

About N'-amino-3,5-ditert-butyl-4-(2-methoxyethoxymethoxy)benzenecarboximidamide

N'-amino-3,5-ditert-butyl-4-(2-methoxyethoxymethoxy)benzenecarboximidamide (PubChem CID 67789663) has the molecular formula C19H33N3O3 and a molecular weight of 351.49 g/mol. Its IUPAC name is N'-amino-3,5-ditert-butyl-4-(2-methoxyethoxymethoxy)benzenecarboximidamide.

Molecular Properties

Compound NameN'-amino-3,5-ditert-butyl-4-(2-methoxyethoxymethoxy)benzenecarboximidamide
PubChem CID67789663
Molecular FormulaC19H33N3O3
Molecular Weight351.49 g/mol
Exact Mass351.25
IUPAC NameN'-amino-3,5-ditert-butyl-4-(2-methoxyethoxymethoxy)benzenecarboximidamide
SMILESCOCCOCOc1c(C(C)(C)C)cc(C(N)=NN)cc1C(C)(C)C
InChIInChI=1S/C19H33N3O3/c1-18(2,3)14-10-13(17(20)22-21)11-15(19(4,5)6)16(14)25-12-24-9-8-23-7/h10-11H,8-9,12,21H2,1-7H3,(H2,20,22)
InChIKeyPESKRILVHJEHFQ-UHFFFAOYSA-N
XLogP2.86
TPSA92.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 N'-amino-3,5-ditert-butyl-4-(2-methoxyethoxymethoxy)benzenecarboximidamide?
The IUPAC name of N'-amino-3,5-ditert-butyl-4-(2-methoxyethoxymethoxy)benzenecarboximidamide (CID 67789663) is N'-amino-3,5-ditert-butyl-4-(2-methoxyethoxymethoxy)benzenecarboximidamide.
What is the SMILES notation for N'-amino-3,5-ditert-butyl-4-(2-methoxyethoxymethoxy)benzenecarboximidamide?
The canonical SMILES for N'-amino-3,5-ditert-butyl-4-(2-methoxyethoxymethoxy)benzenecarboximidamide is COCCOCOc1c(C(C)(C)C)cc(C(N)=NN)cc1C(C)(C)C.
What is the InChIKey of N'-amino-3,5-ditert-butyl-4-(2-methoxyethoxymethoxy)benzenecarboximidamide?
The InChIKey is PESKRILVHJEHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O3/c1-18(2,3)14-10-13(17(20)22-21)11-15(19(4,5)6)16(14)25-12-24-9-8-23-7/h10-11H,8-9,12,21H2,1-7H3,(H2,20,22).
What are the key properties of N'-amino-3,5-ditert-butyl-4-(2-methoxyethoxymethoxy)benzenecarboximidamide?
N'-amino-3,5-ditert-butyl-4-(2-methoxyethoxymethoxy)benzenecarboximidamide has a molecular weight of 351.49 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-3,5-ditert-butyl-4-(2-methoxyethoxymethoxy)benzenecarboximidamide is sourced from PubChem (CID 67789663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).