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

C7H17N3O — CID 104893204

IUPACN'-amino-2-ethoxy-2-methylbutanimidamide
SMILESCCOC(C)(CC)C(N)=NN
InChIInChI=1S/C7H17N3O/c1-4-7(3,11-5-2)6(8)10-9/h4-5,9H2,1-3H3,(H2,8,10)
InChIKeyKSMBFFKRCVDZOP-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.42
Rot. Bonds4

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

N'-amino-2-ethoxy-2-methylbutanimidamide (PubChem CID 104893204) has the molecular formula C7H17N3O and a molecular weight of 159.23 g/mol. Its IUPAC name is N'-amino-2-ethoxy-2-methylbutanimidamide.

Molecular Properties

Compound NameN'-amino-2-ethoxy-2-methylbutanimidamide
PubChem CID104893204
Molecular FormulaC7H17N3O
Molecular Weight159.23 g/mol
Exact Mass159.14
IUPAC NameN'-amino-2-ethoxy-2-methylbutanimidamide
SMILESCCOC(C)(CC)C(N)=NN
InChIInChI=1S/C7H17N3O/c1-4-7(3,11-5-2)6(8)10-9/h4-5,9H2,1-3H3,(H2,8,10)
InChIKeyKSMBFFKRCVDZOP-UHFFFAOYSA-N
XLogP0.42
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 ≤ 50.42
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

ethyl 2-ethoxy-2-methylbutanoate
CID 21285842
N'-tert-butyl-2-ethoxy-2-ethylbutanimidamide
CID 116780038
ethyl 4-ethoxy-2,2,4-trimethyl-3-oxohexanoate
CID 116774844
2-ethoxy-2-methyl-N'-propylpropanimidamide
CID 116732336
N'-(2-ethoxy-2-methylpropyl)-2,2-dimethylpropanimidamide
CID 114944278
ethyl 4-ethoxy-2,2-difluoro-4-methyl-3-oxohexanoate
CID 116774851
N'-amino-2-methoxy-2-methylpropanimidamide
CID 79204608
1-amino-2-ethoxypropan-2-ol
CID 174792064
3-ethoxy-3,5-dimethylheptan-4-one
CID 116746837
3-ethoxy-3-methyloctan-4-one
CID 116747000
2-(2-ethoxy-2-methylpropyl)guanidine
CID 114942747
2-ethoxy-2-fluorobutane
CID 89114459

Frequently Asked Questions

What is the IUPAC name of N'-amino-2-ethoxy-2-methylbutanimidamide?
The IUPAC name of N'-amino-2-ethoxy-2-methylbutanimidamide (CID 104893204) is N'-amino-2-ethoxy-2-methylbutanimidamide.
What is the SMILES notation for N'-amino-2-ethoxy-2-methylbutanimidamide?
The canonical SMILES for N'-amino-2-ethoxy-2-methylbutanimidamide is CCOC(C)(CC)C(N)=NN.
What is the InChIKey of N'-amino-2-ethoxy-2-methylbutanimidamide?
The InChIKey is KSMBFFKRCVDZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O/c1-4-7(3,11-5-2)6(8)10-9/h4-5,9H2,1-3H3,(H2,8,10).
What are the key properties of N'-amino-2-ethoxy-2-methylbutanimidamide?
N'-amino-2-ethoxy-2-methylbutanimidamide has a molecular weight of 159.23 g/mol, XLogP of 0.42, 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-2-methylbutanimidamide is sourced from PubChem (CID 104893204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).