(3Z)-3-amino-3-hydroxyimino-N,N-dipropylpropanamide

C9H19N3O2 — CID 43156006

IUPAC(3Z)-3-amino-3-hydroxyimino-N,N-dipropylpropanamide
SMILESCCCN(CCC)C(=O)C/C(N)=N/O
InChIInChI=1S/C9H19N3O2/c1-3-5-12(6-4-2)9(13)7-8(10)11-14/h14H,3-7H2,1-2H3,(H2,10,11)
InChIKeyRUAFEZFZGNXGAW-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.77
Rot. Bonds6

About (3Z)-3-amino-3-hydroxyimino-N,N-dipropylpropanamide

(3Z)-3-amino-3-hydroxyimino-N,N-dipropylpropanamide (PubChem CID 43156006) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is (3Z)-3-amino-3-hydroxyimino-N,N-dipropylpropanamide.

Molecular Properties

Compound Name(3Z)-3-amino-3-hydroxyimino-N,N-dipropylpropanamide
PubChem CID43156006
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC Name(3Z)-3-amino-3-hydroxyimino-N,N-dipropylpropanamide
SMILESCCCN(CCC)C(=O)C/C(N)=N/O
InChIInChI=1S/C9H19N3O2/c1-3-5-12(6-4-2)9(13)7-8(10)11-14/h14H,3-7H2,1-2H3,(H2,10,11)
InChIKeyRUAFEZFZGNXGAW-UHFFFAOYSA-N
XLogP0.77
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.77
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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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-amino-3-hydroxyimino-N,N-dipropylpropanamide?
The IUPAC name of (3Z)-3-amino-3-hydroxyimino-N,N-dipropylpropanamide (CID 43156006) is (3Z)-3-amino-3-hydroxyimino-N,N-dipropylpropanamide.
What is the SMILES notation for (3Z)-3-amino-3-hydroxyimino-N,N-dipropylpropanamide?
The canonical SMILES for (3Z)-3-amino-3-hydroxyimino-N,N-dipropylpropanamide is CCCN(CCC)C(=O)C/C(N)=N/O.
What is the InChIKey of (3Z)-3-amino-3-hydroxyimino-N,N-dipropylpropanamide?
The InChIKey is RUAFEZFZGNXGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-3-5-12(6-4-2)9(13)7-8(10)11-14/h14H,3-7H2,1-2H3,(H2,10,11).
What are the key properties of (3Z)-3-amino-3-hydroxyimino-N,N-dipropylpropanamide?
(3Z)-3-amino-3-hydroxyimino-N,N-dipropylpropanamide has a molecular weight of 201.27 g/mol, XLogP of 0.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-amino-3-hydroxyimino-N,N-dipropylpropanamide is sourced from PubChem (CID 43156006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).