N'-hydroxy-2,2-dimethyl-5-[2-(oxolan-2-yl)ethylamino]pentanimidamide

C13H27N3O2 — CID 77063776

IUPACN'-hydroxy-2,2-dimethyl-5-[2-(oxolan-2-yl)ethylamino]pentanimidamide
SMILESCC(C)(CCCNCCC1CCCO1)C(N)=NO
InChIInChI=1S/C13H27N3O2/c1-13(2,12(14)16-17)7-4-8-15-9-6-11-5-3-10-18-11/h11,15,17H,3-10H2,1-2H3,(H2,14,16)
InChIKeyNBNYBFDQHCUFAV-UHFFFAOYSA-N
MW257.38 g/mol
LogP1.70
Rot. Bonds8

About N'-hydroxy-2,2-dimethyl-5-[2-(oxolan-2-yl)ethylamino]pentanimidamide

N'-hydroxy-2,2-dimethyl-5-[2-(oxolan-2-yl)ethylamino]pentanimidamide (PubChem CID 77063776) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is N'-hydroxy-2,2-dimethyl-5-[2-(oxolan-2-yl)ethylamino]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2,2-dimethyl-5-[2-(oxolan-2-yl)ethylamino]pentanimidamide
PubChem CID77063776
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC NameN'-hydroxy-2,2-dimethyl-5-[2-(oxolan-2-yl)ethylamino]pentanimidamide
SMILESCC(C)(CCCNCCC1CCCO1)C(N)=NO
InChIInChI=1S/C13H27N3O2/c1-13(2,12(14)16-17)7-4-8-15-9-6-11-5-3-10-18-11/h11,15,17H,3-10H2,1-2H3,(H2,14,16)
InChIKeyNBNYBFDQHCUFAV-UHFFFAOYSA-N
XLogP1.70
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 N'-hydroxy-2,2-dimethyl-5-[2-(oxolan-2-yl)ethylamino]pentanimidamide?
The IUPAC name of N'-hydroxy-2,2-dimethyl-5-[2-(oxolan-2-yl)ethylamino]pentanimidamide (CID 77063776) is N'-hydroxy-2,2-dimethyl-5-[2-(oxolan-2-yl)ethylamino]pentanimidamide.
What is the SMILES notation for N'-hydroxy-2,2-dimethyl-5-[2-(oxolan-2-yl)ethylamino]pentanimidamide?
The canonical SMILES for N'-hydroxy-2,2-dimethyl-5-[2-(oxolan-2-yl)ethylamino]pentanimidamide is CC(C)(CCCNCCC1CCCO1)C(N)=NO.
What is the InChIKey of N'-hydroxy-2,2-dimethyl-5-[2-(oxolan-2-yl)ethylamino]pentanimidamide?
The InChIKey is NBNYBFDQHCUFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-13(2,12(14)16-17)7-4-8-15-9-6-11-5-3-10-18-11/h11,15,17H,3-10H2,1-2H3,(H2,14,16).
What are the key properties of N'-hydroxy-2,2-dimethyl-5-[2-(oxolan-2-yl)ethylamino]pentanimidamide?
N'-hydroxy-2,2-dimethyl-5-[2-(oxolan-2-yl)ethylamino]pentanimidamide has a molecular weight of 257.38 g/mol, XLogP of 1.70, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2,2-dimethyl-5-[2-(oxolan-2-yl)ethylamino]pentanimidamide is sourced from PubChem (CID 77063776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).