(3Z)-3-amino-N-cyclooctyl-3-hydroxyiminopropanamide

C11H21N3O2 — CID 43156049

IUPAC(3Z)-3-amino-N-cyclooctyl-3-hydroxyiminopropanamide
SMILESN/C(CC(=O)NC1CCCCCCC1)=N\O
InChIInChI=1S/C11H21N3O2/c12-10(14-16)8-11(15)13-9-6-4-2-1-3-5-7-9/h9,16H,1-8H2,(H2,12,14)(H,13,15)
InChIKeyXWZNZXOUCDNVOQ-UHFFFAOYSA-N
MW227.31 g/mol
LogP1.35
Rot. Bonds3

About (3Z)-3-amino-N-cyclooctyl-3-hydroxyiminopropanamide

(3Z)-3-amino-N-cyclooctyl-3-hydroxyiminopropanamide (PubChem CID 43156049) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is (3Z)-3-amino-N-cyclooctyl-3-hydroxyiminopropanamide.

Molecular Properties

Compound Name(3Z)-3-amino-N-cyclooctyl-3-hydroxyiminopropanamide
PubChem CID43156049
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name(3Z)-3-amino-N-cyclooctyl-3-hydroxyiminopropanamide
SMILESN/C(CC(=O)NC1CCCCCCC1)=N\O
InChIInChI=1S/C11H21N3O2/c12-10(14-16)8-11(15)13-9-6-4-2-1-3-5-7-9/h9,16H,1-8H2,(H2,12,14)(H,13,15)
InChIKeyXWZNZXOUCDNVOQ-UHFFFAOYSA-N
XLogP1.35
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 51.35
H-Bond Donors ≤ 53
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

(3Z)-3-amino-N-cyclobutyl-3-hydroxyiminopropanamide
CID 62415405
N-cycloheptyl-N'-cyclopentylpropanediamide
CID 108942189
N'-cyclopentylpropanediamide
CID 126996415
ethyl 4-[[(3Z)-3-amino-3-hydroxyiminopropanoyl]amino]piperidine-1-carboxylate
CID 43333243
(3Z)-3-amino-N-(1-cyclohexylpropyl)-3-hydroxyiminopropanamide
CID 55209783
3-[(3-amino-3-hydroxyiminopropyl)amino]-N-cyclopropylpropanamide
CID 79401711
N-cyclododecylpropanamide
CID 2784600
2-chloro-N-cyclododecylacetamide
CID 4285747
N-cyclooctylpropanamide
CID 3387497
N-cycloundecyl-2-sulfanylacetamide
CID 59400510
N-cycloheptyl-2-sulfanylacetamide
CID 60650052
N-cyclodecylpropanamide
CID 122483649

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-amino-N-cyclooctyl-3-hydroxyiminopropanamide?
The IUPAC name of (3Z)-3-amino-N-cyclooctyl-3-hydroxyiminopropanamide (CID 43156049) is (3Z)-3-amino-N-cyclooctyl-3-hydroxyiminopropanamide.
What is the SMILES notation for (3Z)-3-amino-N-cyclooctyl-3-hydroxyiminopropanamide?
The canonical SMILES for (3Z)-3-amino-N-cyclooctyl-3-hydroxyiminopropanamide is N/C(CC(=O)NC1CCCCCCC1)=N\O.
What is the InChIKey of (3Z)-3-amino-N-cyclooctyl-3-hydroxyiminopropanamide?
The InChIKey is XWZNZXOUCDNVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c12-10(14-16)8-11(15)13-9-6-4-2-1-3-5-7-9/h9,16H,1-8H2,(H2,12,14)(H,13,15).
What are the key properties of (3Z)-3-amino-N-cyclooctyl-3-hydroxyiminopropanamide?
(3Z)-3-amino-N-cyclooctyl-3-hydroxyiminopropanamide has a molecular weight of 227.31 g/mol, XLogP of 1.35, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-amino-N-cyclooctyl-3-hydroxyiminopropanamide is sourced from PubChem (CID 43156049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).