N'-hydroxy-2,2-dimethyl-5-propan-2-yloxypentanimidamide

C10H22N2O2 — CID 77063311

IUPACN'-hydroxy-2,2-dimethyl-5-propan-2-yloxypentanimidamide
SMILESCC(C)OCCCC(C)(C)C(N)=NO
InChIInChI=1S/C10H22N2O2/c1-8(2)14-7-5-6-10(3,4)9(11)12-13/h8,13H,5-7H2,1-4H3,(H2,11,12)
InChIKeyZMDDFCANMKZEPQ-UHFFFAOYSA-N
MW202.30 g/mol
LogP1.96
Rot. Bonds6

About N'-hydroxy-2,2-dimethyl-5-propan-2-yloxypentanimidamide

N'-hydroxy-2,2-dimethyl-5-propan-2-yloxypentanimidamide (PubChem CID 77063311) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is N'-hydroxy-2,2-dimethyl-5-propan-2-yloxypentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2,2-dimethyl-5-propan-2-yloxypentanimidamide
PubChem CID77063311
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC NameN'-hydroxy-2,2-dimethyl-5-propan-2-yloxypentanimidamide
SMILESCC(C)OCCCC(C)(C)C(N)=NO
InChIInChI=1S/C10H22N2O2/c1-8(2)14-7-5-6-10(3,4)9(11)12-13/h8,13H,5-7H2,1-4H3,(H2,11,12)
InChIKeyZMDDFCANMKZEPQ-UHFFFAOYSA-N
XLogP1.96
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.96
H-Bond Donors ≤ 52
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 N'-hydroxy-2,2-dimethyl-5-propan-2-yloxypentanimidamide?
The IUPAC name of N'-hydroxy-2,2-dimethyl-5-propan-2-yloxypentanimidamide (CID 77063311) is N'-hydroxy-2,2-dimethyl-5-propan-2-yloxypentanimidamide.
What is the SMILES notation for N'-hydroxy-2,2-dimethyl-5-propan-2-yloxypentanimidamide?
The canonical SMILES for N'-hydroxy-2,2-dimethyl-5-propan-2-yloxypentanimidamide is CC(C)OCCCC(C)(C)C(N)=NO.
What is the InChIKey of N'-hydroxy-2,2-dimethyl-5-propan-2-yloxypentanimidamide?
The InChIKey is ZMDDFCANMKZEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-8(2)14-7-5-6-10(3,4)9(11)12-13/h8,13H,5-7H2,1-4H3,(H2,11,12).
What are the key properties of N'-hydroxy-2,2-dimethyl-5-propan-2-yloxypentanimidamide?
N'-hydroxy-2,2-dimethyl-5-propan-2-yloxypentanimidamide has a molecular weight of 202.30 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2,2-dimethyl-5-propan-2-yloxypentanimidamide is sourced from PubChem (CID 77063311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).