3-[1-(1-adamantyl)ethylamino]-N'-hydroxypentanimidamide

C17H31N3O — CID 77026169

IUPAC3-[1-(1-adamantyl)ethylamino]-N'-hydroxypentanimidamide
SMILESCCC(CC(N)=NO)NC(C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H31N3O/c1-3-15(7-16(18)20-21)19-11(2)17-8-12-4-13(9-17)6-14(5-12)10-17/h11-15,19,21H,3-10H2,1-2H3,(H2,18,20)
InChIKeyVMJYVDQSCCQZPG-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.10
Rot. Bonds6

About 3-[1-(1-adamantyl)ethylamino]-N'-hydroxypentanimidamide

3-[1-(1-adamantyl)ethylamino]-N'-hydroxypentanimidamide (PubChem CID 77026169) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is 3-[1-(1-adamantyl)ethylamino]-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name3-[1-(1-adamantyl)ethylamino]-N'-hydroxypentanimidamide
PubChem CID77026169
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC Name3-[1-(1-adamantyl)ethylamino]-N'-hydroxypentanimidamide
SMILESCCC(CC(N)=NO)NC(C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H31N3O/c1-3-15(7-16(18)20-21)19-11(2)17-8-12-4-13(9-17)6-14(5-12)10-17/h11-15,19,21H,3-10H2,1-2H3,(H2,18,20)
InChIKeyVMJYVDQSCCQZPG-UHFFFAOYSA-N
XLogP3.10
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.10
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-[1-(1-adamantyl)ethylamino]-N'-hydroxypentanimidamide?
The IUPAC name of 3-[1-(1-adamantyl)ethylamino]-N'-hydroxypentanimidamide (CID 77026169) is 3-[1-(1-adamantyl)ethylamino]-N'-hydroxypentanimidamide.
What is the SMILES notation for 3-[1-(1-adamantyl)ethylamino]-N'-hydroxypentanimidamide?
The canonical SMILES for 3-[1-(1-adamantyl)ethylamino]-N'-hydroxypentanimidamide is CCC(CC(N)=NO)NC(C)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 3-[1-(1-adamantyl)ethylamino]-N'-hydroxypentanimidamide?
The InChIKey is VMJYVDQSCCQZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-3-15(7-16(18)20-21)19-11(2)17-8-12-4-13(9-17)6-14(5-12)10-17/h11-15,19,21H,3-10H2,1-2H3,(H2,18,20).
What are the key properties of 3-[1-(1-adamantyl)ethylamino]-N'-hydroxypentanimidamide?
3-[1-(1-adamantyl)ethylamino]-N'-hydroxypentanimidamide has a molecular weight of 293.45 g/mol, XLogP of 3.10, 6 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'-hydroxypentanimidamide is sourced from PubChem (CID 77026169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).