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

C15H27N3O — CID 77025920

IUPAC3-[1-(1-adamantyl)ethylamino]-N'-hydroxypropanimidamide
SMILESCC(NCCC(N)=NO)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H27N3O/c1-10(17-3-2-14(16)18-19)15-7-11-4-12(8-15)6-13(5-11)9-15/h10-13,17,19H,2-9H2,1H3,(H2,16,18)
InChIKeyRTCDOBWKOBXVTG-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.32
Rot. Bonds5

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

3-[1-(1-adamantyl)ethylamino]-N'-hydroxypropanimidamide (PubChem CID 77025920) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 3-[1-(1-adamantyl)ethylamino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[1-(1-adamantyl)ethylamino]-N'-hydroxypropanimidamide
PubChem CID77025920
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name3-[1-(1-adamantyl)ethylamino]-N'-hydroxypropanimidamide
SMILESCC(NCCC(N)=NO)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H27N3O/c1-10(17-3-2-14(16)18-19)15-7-11-4-12(8-15)6-13(5-11)9-15/h10-13,17,19H,2-9H2,1H3,(H2,16,18)
InChIKeyRTCDOBWKOBXVTG-UHFFFAOYSA-N
XLogP2.32
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.32
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'-hydroxypropanimidamide?
The IUPAC name of 3-[1-(1-adamantyl)ethylamino]-N'-hydroxypropanimidamide (CID 77025920) is 3-[1-(1-adamantyl)ethylamino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[1-(1-adamantyl)ethylamino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[1-(1-adamantyl)ethylamino]-N'-hydroxypropanimidamide is CC(NCCC(N)=NO)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 3-[1-(1-adamantyl)ethylamino]-N'-hydroxypropanimidamide?
The InChIKey is RTCDOBWKOBXVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-10(17-3-2-14(16)18-19)15-7-11-4-12(8-15)6-13(5-11)9-15/h10-13,17,19H,2-9H2,1H3,(H2,16,18).
What are the key properties of 3-[1-(1-adamantyl)ethylamino]-N'-hydroxypropanimidamide?
3-[1-(1-adamantyl)ethylamino]-N'-hydroxypropanimidamide has a molecular weight of 265.40 g/mol, XLogP of 2.32, 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'-hydroxypropanimidamide is sourced from PubChem (CID 77025920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).