2-(1-ethoxypropan-2-ylamino)-N'-hydroxyethanimidamide

C7H17N3O2 — CID 77032312

IUPAC2-(1-ethoxypropan-2-ylamino)-N'-hydroxyethanimidamide
SMILESCCOCC(C)NCC(N)=NO
InChIInChI=1S/C7H17N3O2/c1-3-12-5-6(2)9-4-7(8)10-11/h6,9,11H,3-5H2,1-2H3,(H2,8,10)
InChIKeyZJBIQDAWMFETDD-UHFFFAOYSA-N
MW175.23 g/mol
LogP-0.25
Rot. Bonds6

About 2-(1-ethoxypropan-2-ylamino)-N'-hydroxyethanimidamide

2-(1-ethoxypropan-2-ylamino)-N'-hydroxyethanimidamide (PubChem CID 77032312) has the molecular formula C7H17N3O2 and a molecular weight of 175.23 g/mol. Its IUPAC name is 2-(1-ethoxypropan-2-ylamino)-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-(1-ethoxypropan-2-ylamino)-N'-hydroxyethanimidamide
PubChem CID77032312
Molecular FormulaC7H17N3O2
Molecular Weight175.23 g/mol
Exact Mass175.13
IUPAC Name2-(1-ethoxypropan-2-ylamino)-N'-hydroxyethanimidamide
SMILESCCOCC(C)NCC(N)=NO
InChIInChI=1S/C7H17N3O2/c1-3-12-5-6(2)9-4-7(8)10-11/h6,9,11H,3-5H2,1-2H3,(H2,8,10)
InChIKeyZJBIQDAWMFETDD-UHFFFAOYSA-N
XLogP-0.25
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(1-ethoxypropan-2-ylamino)-N'-hydroxypentanimidamide
CID 77032461
4-[(1-ethoxypropan-2-ylamino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77032610
4-(1-ethoxypropan-2-ylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062756
N'-hydroxy-2-(1-methoxypentan-2-ylamino)ethanimidamide
CID 77035792
2-ethoxy-N'-hydroxyethanimidamide
CID 10582776
3-amino-N-(1-ethoxypropan-2-yl)-3-hydroxyimino-2,2-dimethylpropanamide
CID 76921489
2-[(4-amino-4-hydroxyiminobutan-2-yl)amino]acetamide
CID 77027473
N-(1-ethoxypropan-2-yl)-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide
CID 76921488
2-N-(1-ethoxypropan-2-yl)propane-1,2-diamine
CID 103389655
methyl 3-(1-ethoxypropan-2-yloxy)-2-(ethylamino)propanoate
CID 103489799
2-(1-cyclopentylethylamino)-N'-hydroxyethanimidamide
CID 77029717
ethyl 3-(1-ethoxypropan-2-yloxy)-2-(methylamino)propanoate
CID 103489818

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxypropan-2-ylamino)-N'-hydroxyethanimidamide?
The IUPAC name of 2-(1-ethoxypropan-2-ylamino)-N'-hydroxyethanimidamide (CID 77032312) is 2-(1-ethoxypropan-2-ylamino)-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-(1-ethoxypropan-2-ylamino)-N'-hydroxyethanimidamide?
The canonical SMILES for 2-(1-ethoxypropan-2-ylamino)-N'-hydroxyethanimidamide is CCOCC(C)NCC(N)=NO.
What is the InChIKey of 2-(1-ethoxypropan-2-ylamino)-N'-hydroxyethanimidamide?
The InChIKey is ZJBIQDAWMFETDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O2/c1-3-12-5-6(2)9-4-7(8)10-11/h6,9,11H,3-5H2,1-2H3,(H2,8,10).
What are the key properties of 2-(1-ethoxypropan-2-ylamino)-N'-hydroxyethanimidamide?
2-(1-ethoxypropan-2-ylamino)-N'-hydroxyethanimidamide has a molecular weight of 175.23 g/mol, XLogP of -0.25, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxypropan-2-ylamino)-N'-hydroxyethanimidamide is sourced from PubChem (CID 77032312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).