3-amino-N-(3,5-dimethyl-1-adamantyl)-3-hydroxyiminopropanamide

C15H25N3O2 — CID 79987067

IUPAC3-amino-N-(3,5-dimethyl-1-adamantyl)-3-hydroxyiminopropanamide
SMILESCC12CC3CC(C)(C1)CC(NC(=O)CC(N)=NO)(C3)C2
InChIInChI=1S/C15H25N3O2/c1-13-4-10-5-14(2,7-13)9-15(6-10,8-13)17-12(19)3-11(16)18-20/h10,20H,3-9H2,1-2H3,(H2,16,18)(H,17,19)
InChIKeyMXAQHQFGVVKHED-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.99
Rot. Bonds3

About 3-amino-N-(3,5-dimethyl-1-adamantyl)-3-hydroxyiminopropanamide

3-amino-N-(3,5-dimethyl-1-adamantyl)-3-hydroxyiminopropanamide (PubChem CID 79987067) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 3-amino-N-(3,5-dimethyl-1-adamantyl)-3-hydroxyiminopropanamide.

Molecular Properties

Compound Name3-amino-N-(3,5-dimethyl-1-adamantyl)-3-hydroxyiminopropanamide
PubChem CID79987067
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name3-amino-N-(3,5-dimethyl-1-adamantyl)-3-hydroxyiminopropanamide
SMILESCC12CC3CC(C)(C1)CC(NC(=O)CC(N)=NO)(C3)C2
InChIInChI=1S/C15H25N3O2/c1-13-4-10-5-14(2,7-13)9-15(6-10,8-13)17-12(19)3-11(16)18-20/h10,20H,3-9H2,1-2H3,(H2,16,18)(H,17,19)
InChIKeyMXAQHQFGVVKHED-UHFFFAOYSA-N
XLogP1.99
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.99
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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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3,5-dimethyl-1-adamantyl)-3-hydroxyiminopropanamide?
The IUPAC name of 3-amino-N-(3,5-dimethyl-1-adamantyl)-3-hydroxyiminopropanamide (CID 79987067) is 3-amino-N-(3,5-dimethyl-1-adamantyl)-3-hydroxyiminopropanamide.
What is the SMILES notation for 3-amino-N-(3,5-dimethyl-1-adamantyl)-3-hydroxyiminopropanamide?
The canonical SMILES for 3-amino-N-(3,5-dimethyl-1-adamantyl)-3-hydroxyiminopropanamide is CC12CC3CC(C)(C1)CC(NC(=O)CC(N)=NO)(C3)C2.
What is the InChIKey of 3-amino-N-(3,5-dimethyl-1-adamantyl)-3-hydroxyiminopropanamide?
The InChIKey is MXAQHQFGVVKHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-13-4-10-5-14(2,7-13)9-15(6-10,8-13)17-12(19)3-11(16)18-20/h10,20H,3-9H2,1-2H3,(H2,16,18)(H,17,19).
What are the key properties of 3-amino-N-(3,5-dimethyl-1-adamantyl)-3-hydroxyiminopropanamide?
3-amino-N-(3,5-dimethyl-1-adamantyl)-3-hydroxyiminopropanamide has a molecular weight of 279.38 g/mol, XLogP of 1.99, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3,5-dimethyl-1-adamantyl)-3-hydroxyiminopropanamide is sourced from PubChem (CID 79987067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).