N'-amino-2-ethoxy-3-methylbutanimidamide

C7H17N3O — CID 104893162

IUPACN'-amino-2-ethoxy-3-methylbutanimidamide
SMILESCCOC(C(N)=NN)C(C)C
InChIInChI=1S/C7H17N3O/c1-4-11-6(5(2)3)7(8)10-9/h5-6H,4,9H2,1-3H3,(H2,8,10)
InChIKeyYFRCQOZSQRAKNQ-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.28
Rot. Bonds4

About N'-amino-2-ethoxy-3-methylbutanimidamide

N'-amino-2-ethoxy-3-methylbutanimidamide (PubChem CID 104893162) has the molecular formula C7H17N3O and a molecular weight of 159.23 g/mol. Its IUPAC name is N'-amino-2-ethoxy-3-methylbutanimidamide.

Molecular Properties

Compound NameN'-amino-2-ethoxy-3-methylbutanimidamide
PubChem CID104893162
Molecular FormulaC7H17N3O
Molecular Weight159.23 g/mol
Exact Mass159.14
IUPAC NameN'-amino-2-ethoxy-3-methylbutanimidamide
SMILESCCOC(C(N)=NN)C(C)C
InChIInChI=1S/C7H17N3O/c1-4-11-6(5(2)3)7(8)10-9/h5-6H,4,9H2,1-3H3,(H2,8,10)
InChIKeyYFRCQOZSQRAKNQ-UHFFFAOYSA-N
XLogP0.28
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-ethoxy-3-methyl-N'-propan-2-ylbutanimidamide
CID 116732358
2-ethoxy-3-methylbutanoate
CID 23183641
2,2-diethoxy-N'-hydroxyethanimidamide
CID 40607073
CID 171370188
CID 171370188
N'-amino-2-methylpropanimidamide;dihydrochloride
CID 167730390
2-ethoxypropane;zinc
CID 174321747
5-ethoxy-6-methylhept-1-en-4-one
CID 116708606
2-ethoxy-3,3-dimethyl-N'-propylbutanimidamide
CID 116732335
acetamide;1-ethoxyethanol
CID 175470032
ethanamine;1-ethoxyethanol
CID 20501270
(2R,3R,4R)-2-ethoxy-3,4,5-trimethylhexane
CID 142521476
2-ethoxy-1-(2-ethylcyclohexyl)-3-methylbutan-1-one
CID 116708607

Frequently Asked Questions

What is the IUPAC name of N'-amino-2-ethoxy-3-methylbutanimidamide?
The IUPAC name of N'-amino-2-ethoxy-3-methylbutanimidamide (CID 104893162) is N'-amino-2-ethoxy-3-methylbutanimidamide.
What is the SMILES notation for N'-amino-2-ethoxy-3-methylbutanimidamide?
The canonical SMILES for N'-amino-2-ethoxy-3-methylbutanimidamide is CCOC(C(N)=NN)C(C)C.
What is the InChIKey of N'-amino-2-ethoxy-3-methylbutanimidamide?
The InChIKey is YFRCQOZSQRAKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O/c1-4-11-6(5(2)3)7(8)10-9/h5-6H,4,9H2,1-3H3,(H2,8,10).
What are the key properties of N'-amino-2-ethoxy-3-methylbutanimidamide?
N'-amino-2-ethoxy-3-methylbutanimidamide has a molecular weight of 159.23 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-2-ethoxy-3-methylbutanimidamide is sourced from PubChem (CID 104893162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).