3-[1-(1-adamantyl)ethylamino]-N'-hydroxy-2-methylpropanimidamide

C16H29N3O — CID 77026047

IUPAC3-[1-(1-adamantyl)ethylamino]-N'-hydroxy-2-methylpropanimidamide
SMILESCC(CNC(C)C12CC3CC(CC(C3)C1)C2)C(N)=NO
InChIInChI=1S/C16H29N3O/c1-10(15(17)19-20)9-18-11(2)16-6-12-3-13(7-16)5-14(4-12)8-16/h10-14,18,20H,3-9H2,1-2H3,(H2,17,19)
InChIKeyRPDUQEJTOFKOAJ-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.56
Rot. Bonds5

About 3-[1-(1-adamantyl)ethylamino]-N'-hydroxy-2-methylpropanimidamide

3-[1-(1-adamantyl)ethylamino]-N'-hydroxy-2-methylpropanimidamide (PubChem CID 77026047) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 3-[1-(1-adamantyl)ethylamino]-N'-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound Name3-[1-(1-adamantyl)ethylamino]-N'-hydroxy-2-methylpropanimidamide
PubChem CID77026047
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name3-[1-(1-adamantyl)ethylamino]-N'-hydroxy-2-methylpropanimidamide
SMILESCC(CNC(C)C12CC3CC(CC(C3)C1)C2)C(N)=NO
InChIInChI=1S/C16H29N3O/c1-10(15(17)19-20)9-18-11(2)16-6-12-3-13(7-16)5-14(4-12)8-16/h10-14,18,20H,3-9H2,1-2H3,(H2,17,19)
InChIKeyRPDUQEJTOFKOAJ-UHFFFAOYSA-N
XLogP2.56
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.56
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'}

Analyze 3-[1-(1-adamantyl)ethylamino]-N'-hydroxy-2-methylpropanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-adamantyl)ethylamino]-N'-hydroxy-2-methylpropanimidamide?
The IUPAC name of 3-[1-(1-adamantyl)ethylamino]-N'-hydroxy-2-methylpropanimidamide (CID 77026047) is 3-[1-(1-adamantyl)ethylamino]-N'-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for 3-[1-(1-adamantyl)ethylamino]-N'-hydroxy-2-methylpropanimidamide?
The canonical SMILES for 3-[1-(1-adamantyl)ethylamino]-N'-hydroxy-2-methylpropanimidamide is CC(CNC(C)C12CC3CC(CC(C3)C1)C2)C(N)=NO.
What is the InChIKey of 3-[1-(1-adamantyl)ethylamino]-N'-hydroxy-2-methylpropanimidamide?
The InChIKey is RPDUQEJTOFKOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-10(15(17)19-20)9-18-11(2)16-6-12-3-13(7-16)5-14(4-12)8-16/h10-14,18,20H,3-9H2,1-2H3,(H2,17,19).
What are the key properties of 3-[1-(1-adamantyl)ethylamino]-N'-hydroxy-2-methylpropanimidamide?
3-[1-(1-adamantyl)ethylamino]-N'-hydroxy-2-methylpropanimidamide has a molecular weight of 279.43 g/mol, XLogP of 2.56, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-adamantyl)ethylamino]-N'-hydroxy-2-methylpropanimidamide is sourced from PubChem (CID 77026047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).