4-(1-adamantylamino)-N'-hydroxybutanimidamide

C14H25N3O — CID 77025532

IUPAC4-(1-adamantylamino)-N'-hydroxybutanimidamide
SMILESNC(CCCNC12CC3CC(CC(C3)C1)C2)=NO
InChIInChI=1S/C14H25N3O/c15-13(17-18)2-1-3-16-14-7-10-4-11(8-14)6-12(5-10)9-14/h10-12,16,18H,1-9H2,(H2,15,17)
InChIKeyMFOUDIIYOFKHAR-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.07
Rot. Bonds5

About 4-(1-adamantylamino)-N'-hydroxybutanimidamide

4-(1-adamantylamino)-N'-hydroxybutanimidamide (PubChem CID 77025532) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 4-(1-adamantylamino)-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name4-(1-adamantylamino)-N'-hydroxybutanimidamide
PubChem CID77025532
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name4-(1-adamantylamino)-N'-hydroxybutanimidamide
SMILESNC(CCCNC12CC3CC(CC(C3)C1)C2)=NO
InChIInChI=1S/C14H25N3O/c15-13(17-18)2-1-3-16-14-7-10-4-11(8-14)6-12(5-10)9-14/h10-12,16,18H,1-9H2,(H2,15,17)
InChIKeyMFOUDIIYOFKHAR-UHFFFAOYSA-N
XLogP2.07
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 4-(1-adamantylamino)-N'-hydroxybutanimidamide?
The IUPAC name of 4-(1-adamantylamino)-N'-hydroxybutanimidamide (CID 77025532) is 4-(1-adamantylamino)-N'-hydroxybutanimidamide.
What is the SMILES notation for 4-(1-adamantylamino)-N'-hydroxybutanimidamide?
The canonical SMILES for 4-(1-adamantylamino)-N'-hydroxybutanimidamide is NC(CCCNC12CC3CC(CC(C3)C1)C2)=NO.
What is the InChIKey of 4-(1-adamantylamino)-N'-hydroxybutanimidamide?
The InChIKey is MFOUDIIYOFKHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c15-13(17-18)2-1-3-16-14-7-10-4-11(8-14)6-12(5-10)9-14/h10-12,16,18H,1-9H2,(H2,15,17).
What are the key properties of 4-(1-adamantylamino)-N'-hydroxybutanimidamide?
4-(1-adamantylamino)-N'-hydroxybutanimidamide has a molecular weight of 251.37 g/mol, XLogP of 2.07, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-adamantylamino)-N'-hydroxybutanimidamide is sourced from PubChem (CID 77025532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).