5-(1-adamantylamino)-N'-hydroxypentanimidamide

C15H27N3O — CID 77025404

IUPAC5-(1-adamantylamino)-N'-hydroxypentanimidamide
SMILESNC(CCCCNC12CC3CC(CC(C3)C1)C2)=NO
InChIInChI=1S/C15H27N3O/c16-14(18-19)3-1-2-4-17-15-8-11-5-12(9-15)7-13(6-11)10-15/h11-13,17,19H,1-10H2,(H2,16,18)
InChIKeyCQHGEWVOKZBWFG-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.46
Rot. Bonds6

About 5-(1-adamantylamino)-N'-hydroxypentanimidamide

5-(1-adamantylamino)-N'-hydroxypentanimidamide (PubChem CID 77025404) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 5-(1-adamantylamino)-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name5-(1-adamantylamino)-N'-hydroxypentanimidamide
PubChem CID77025404
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name5-(1-adamantylamino)-N'-hydroxypentanimidamide
SMILESNC(CCCCNC12CC3CC(CC(C3)C1)C2)=NO
InChIInChI=1S/C15H27N3O/c16-14(18-19)3-1-2-4-17-15-8-11-5-12(9-15)7-13(6-11)10-15/h11-13,17,19H,1-10H2,(H2,16,18)
InChIKeyCQHGEWVOKZBWFG-UHFFFAOYSA-N
XLogP2.46
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.46
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 5-(1-adamantylamino)-N'-hydroxypentanimidamide?
The IUPAC name of 5-(1-adamantylamino)-N'-hydroxypentanimidamide (CID 77025404) is 5-(1-adamantylamino)-N'-hydroxypentanimidamide.
What is the SMILES notation for 5-(1-adamantylamino)-N'-hydroxypentanimidamide?
The canonical SMILES for 5-(1-adamantylamino)-N'-hydroxypentanimidamide is NC(CCCCNC12CC3CC(CC(C3)C1)C2)=NO.
What is the InChIKey of 5-(1-adamantylamino)-N'-hydroxypentanimidamide?
The InChIKey is CQHGEWVOKZBWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c16-14(18-19)3-1-2-4-17-15-8-11-5-12(9-15)7-13(6-11)10-15/h11-13,17,19H,1-10H2,(H2,16,18).
What are the key properties of 5-(1-adamantylamino)-N'-hydroxypentanimidamide?
5-(1-adamantylamino)-N'-hydroxypentanimidamide has a molecular weight of 265.40 g/mol, XLogP of 2.46, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-adamantylamino)-N'-hydroxypentanimidamide is sourced from PubChem (CID 77025404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).