N-(3-amino-3-hydroxyiminopropyl)-N-propan-2-ylcyclooctanecarboxamide

C15H29N3O2 — CID 77052802

IUPACN-(3-amino-3-hydroxyiminopropyl)-N-propan-2-ylcyclooctanecarboxamide
SMILESCC(C)N(CCC(N)=NO)C(=O)C1CCCCCCC1
InChIInChI=1S/C15H29N3O2/c1-12(2)18(11-10-14(16)17-20)15(19)13-8-6-4-3-5-7-9-13/h12-13,20H,3-11H2,1-2H3,(H2,16,17)
InChIKeyJXFCYZHNQNZIRZ-UHFFFAOYSA-N
MW283.42 g/mol
LogP2.72
Rot. Bonds5

About N-(3-amino-3-hydroxyiminopropyl)-N-propan-2-ylcyclooctanecarboxamide

N-(3-amino-3-hydroxyiminopropyl)-N-propan-2-ylcyclooctanecarboxamide (PubChem CID 77052802) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-(3-amino-3-hydroxyiminopropyl)-N-propan-2-ylcyclooctanecarboxamide.

Molecular Properties

Compound NameN-(3-amino-3-hydroxyiminopropyl)-N-propan-2-ylcyclooctanecarboxamide
PubChem CID77052802
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC NameN-(3-amino-3-hydroxyiminopropyl)-N-propan-2-ylcyclooctanecarboxamide
SMILESCC(C)N(CCC(N)=NO)C(=O)C1CCCCCCC1
InChIInChI=1S/C15H29N3O2/c1-12(2)18(11-10-14(16)17-20)15(19)13-8-6-4-3-5-7-9-13/h12-13,20H,3-11H2,1-2H3,(H2,16,17)
InChIKeyJXFCYZHNQNZIRZ-UHFFFAOYSA-N
XLogP2.72
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 52.72
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 N-(3-amino-3-hydroxyiminopropyl)-N-propan-2-ylcyclooctanecarboxamide?
The IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-N-propan-2-ylcyclooctanecarboxamide (CID 77052802) is N-(3-amino-3-hydroxyiminopropyl)-N-propan-2-ylcyclooctanecarboxamide.
What is the SMILES notation for N-(3-amino-3-hydroxyiminopropyl)-N-propan-2-ylcyclooctanecarboxamide?
The canonical SMILES for N-(3-amino-3-hydroxyiminopropyl)-N-propan-2-ylcyclooctanecarboxamide is CC(C)N(CCC(N)=NO)C(=O)C1CCCCCCC1.
What is the InChIKey of N-(3-amino-3-hydroxyiminopropyl)-N-propan-2-ylcyclooctanecarboxamide?
The InChIKey is JXFCYZHNQNZIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-12(2)18(11-10-14(16)17-20)15(19)13-8-6-4-3-5-7-9-13/h12-13,20H,3-11H2,1-2H3,(H2,16,17).
What are the key properties of N-(3-amino-3-hydroxyiminopropyl)-N-propan-2-ylcyclooctanecarboxamide?
N-(3-amino-3-hydroxyiminopropyl)-N-propan-2-ylcyclooctanecarboxamide has a molecular weight of 283.42 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-hydroxyiminopropyl)-N-propan-2-ylcyclooctanecarboxamide is sourced from PubChem (CID 77052802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).