(3Z)-3-amino-N,N-diethyl-3-hydroxyiminopropanamide

C7H15N3O2 — CID 43155944

IUPAC(3Z)-3-amino-N,N-diethyl-3-hydroxyiminopropanamide
SMILESCCN(CC)C(=O)C/C(N)=N/O
InChIInChI=1S/C7H15N3O2/c1-3-10(4-2)7(11)5-6(8)9-12/h12H,3-5H2,1-2H3,(H2,8,9)
InChIKeyWJSAICNRRWUWPQ-UHFFFAOYSA-N
MW173.22 g/mol
LogP-0.01
Rot. Bonds4

About (3Z)-3-amino-N,N-diethyl-3-hydroxyiminopropanamide

(3Z)-3-amino-N,N-diethyl-3-hydroxyiminopropanamide (PubChem CID 43155944) has the molecular formula C7H15N3O2 and a molecular weight of 173.22 g/mol. Its IUPAC name is (3Z)-3-amino-N,N-diethyl-3-hydroxyiminopropanamide.

Molecular Properties

Compound Name(3Z)-3-amino-N,N-diethyl-3-hydroxyiminopropanamide
PubChem CID43155944
Molecular FormulaC7H15N3O2
Molecular Weight173.22 g/mol
Exact Mass173.12
IUPAC Name(3Z)-3-amino-N,N-diethyl-3-hydroxyiminopropanamide
SMILESCCN(CC)C(=O)C/C(N)=N/O
InChIInChI=1S/C7H15N3O2/c1-3-10(4-2)7(11)5-6(8)9-12/h12H,3-5H2,1-2H3,(H2,8,9)
InChIKeyWJSAICNRRWUWPQ-UHFFFAOYSA-N
XLogP-0.01
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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N-butyl-2-(N'-hydroxycarbamimidoyl)acetamide
CID 2453601
N'-hydroxy-3-oxo-3-pyrrolidin-1-ylpropanimidamide
CID 2803610
(3Z)-3-amino-3-hydroxyimino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide
CID 55207095
(3Z)-3-amino-3-hydroxyimino-N-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 60890842
3-amino-3-hydroxyimino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide
CID 76175085
N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-3,3,3-trifluoropropanamide
CID 76910472
3-amino-N-ethyl-3-hydroxyimino-N-(2,2,2-trifluoroethyl)propanamide
CID 76912627
3-amino-3-hydroxyimino-N-propyl-N-(2,2,2-trifluoroethyl)propanamide
CID 76912638
3-amino-N-ethyl-3-hydroxyimino-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 76923563
3-amino-3-hydroxyimino-2-methyl-N-propyl-N-(2,2,2-trifluoroethyl)propanamide
CID 76923870

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-amino-N,N-diethyl-3-hydroxyiminopropanamide?
The IUPAC name of (3Z)-3-amino-N,N-diethyl-3-hydroxyiminopropanamide (CID 43155944) is (3Z)-3-amino-N,N-diethyl-3-hydroxyiminopropanamide.
What is the SMILES notation for (3Z)-3-amino-N,N-diethyl-3-hydroxyiminopropanamide?
The canonical SMILES for (3Z)-3-amino-N,N-diethyl-3-hydroxyiminopropanamide is CCN(CC)C(=O)C/C(N)=N/O.
What is the InChIKey of (3Z)-3-amino-N,N-diethyl-3-hydroxyiminopropanamide?
The InChIKey is WJSAICNRRWUWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O2/c1-3-10(4-2)7(11)5-6(8)9-12/h12H,3-5H2,1-2H3,(H2,8,9).
What are the key properties of (3Z)-3-amino-N,N-diethyl-3-hydroxyiminopropanamide?
(3Z)-3-amino-N,N-diethyl-3-hydroxyiminopropanamide has a molecular weight of 173.22 g/mol, XLogP of -0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-amino-N,N-diethyl-3-hydroxyiminopropanamide is sourced from PubChem (CID 43155944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).