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

C11H23N3O2 — CID 43155922

IUPAC(3Z)-3-amino-N,N-dibutyl-3-hydroxyiminopropanamide
SMILESCCCCN(CCCC)C(=O)C/C(N)=N/O
InChIInChI=1S/C11H23N3O2/c1-3-5-7-14(8-6-4-2)11(15)9-10(12)13-16/h16H,3-9H2,1-2H3,(H2,12,13)
InChIKeyCICVYFQNUIVJIQ-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.55
Rot. Bonds8

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

(3Z)-3-amino-N,N-dibutyl-3-hydroxyiminopropanamide (PubChem CID 43155922) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is (3Z)-3-amino-N,N-dibutyl-3-hydroxyiminopropanamide.

Molecular Properties

Compound Name(3Z)-3-amino-N,N-dibutyl-3-hydroxyiminopropanamide
PubChem CID43155922
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name(3Z)-3-amino-N,N-dibutyl-3-hydroxyiminopropanamide
SMILESCCCCN(CCCC)C(=O)C/C(N)=N/O
InChIInChI=1S/C11H23N3O2/c1-3-5-7-14(8-6-4-2)11(15)9-10(12)13-16/h16H,3-9H2,1-2H3,(H2,12,13)
InChIKeyCICVYFQNUIVJIQ-UHFFFAOYSA-N
XLogP1.55
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.55
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-N,N-dibutyl-3-hydroxyiminopropanamide?
The IUPAC name of (3Z)-3-amino-N,N-dibutyl-3-hydroxyiminopropanamide (CID 43155922) is (3Z)-3-amino-N,N-dibutyl-3-hydroxyiminopropanamide.
What is the SMILES notation for (3Z)-3-amino-N,N-dibutyl-3-hydroxyiminopropanamide?
The canonical SMILES for (3Z)-3-amino-N,N-dibutyl-3-hydroxyiminopropanamide is CCCCN(CCCC)C(=O)C/C(N)=N/O.
What is the InChIKey of (3Z)-3-amino-N,N-dibutyl-3-hydroxyiminopropanamide?
The InChIKey is CICVYFQNUIVJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-3-5-7-14(8-6-4-2)11(15)9-10(12)13-16/h16H,3-9H2,1-2H3,(H2,12,13).
What are the key properties of (3Z)-3-amino-N,N-dibutyl-3-hydroxyiminopropanamide?
(3Z)-3-amino-N,N-dibutyl-3-hydroxyiminopropanamide has a molecular weight of 229.32 g/mol, XLogP of 1.55, 8 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-dibutyl-3-hydroxyiminopropanamide is sourced from PubChem (CID 43155922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).