N'-hydroxy-5-[2-hydroxyethyl(propyl)amino]-2,2-dimethylpentanimidamide

C12H27N3O2 — CID 77063745

IUPACN'-hydroxy-5-[2-hydroxyethyl(propyl)amino]-2,2-dimethylpentanimidamide
SMILESCCCN(CCO)CCCC(C)(C)C(N)=NO
InChIInChI=1S/C12H27N3O2/c1-4-7-15(9-10-16)8-5-6-12(2,3)11(13)14-17/h16-17H,4-10H2,1-3H3,(H2,13,14)
InChIKeyZLJWPDBDOJZCPU-UHFFFAOYSA-N
MW245.37 g/mol
LogP1.24
Rot. Bonds9

About N'-hydroxy-5-[2-hydroxyethyl(propyl)amino]-2,2-dimethylpentanimidamide

N'-hydroxy-5-[2-hydroxyethyl(propyl)amino]-2,2-dimethylpentanimidamide (PubChem CID 77063745) has the molecular formula C12H27N3O2 and a molecular weight of 245.37 g/mol. Its IUPAC name is N'-hydroxy-5-[2-hydroxyethyl(propyl)amino]-2,2-dimethylpentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-5-[2-hydroxyethyl(propyl)amino]-2,2-dimethylpentanimidamide
PubChem CID77063745
Molecular FormulaC12H27N3O2
Molecular Weight245.37 g/mol
Exact Mass245.21
IUPAC NameN'-hydroxy-5-[2-hydroxyethyl(propyl)amino]-2,2-dimethylpentanimidamide
SMILESCCCN(CCO)CCCC(C)(C)C(N)=NO
InChIInChI=1S/C12H27N3O2/c1-4-7-15(9-10-16)8-5-6-12(2,3)11(13)14-17/h16-17H,4-10H2,1-3H3,(H2,13,14)
InChIKeyZLJWPDBDOJZCPU-UHFFFAOYSA-N
XLogP1.24
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 N'-hydroxy-5-[2-hydroxyethyl(propyl)amino]-2,2-dimethylpentanimidamide?
The IUPAC name of N'-hydroxy-5-[2-hydroxyethyl(propyl)amino]-2,2-dimethylpentanimidamide (CID 77063745) is N'-hydroxy-5-[2-hydroxyethyl(propyl)amino]-2,2-dimethylpentanimidamide.
What is the SMILES notation for N'-hydroxy-5-[2-hydroxyethyl(propyl)amino]-2,2-dimethylpentanimidamide?
The canonical SMILES for N'-hydroxy-5-[2-hydroxyethyl(propyl)amino]-2,2-dimethylpentanimidamide is CCCN(CCO)CCCC(C)(C)C(N)=NO.
What is the InChIKey of N'-hydroxy-5-[2-hydroxyethyl(propyl)amino]-2,2-dimethylpentanimidamide?
The InChIKey is ZLJWPDBDOJZCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O2/c1-4-7-15(9-10-16)8-5-6-12(2,3)11(13)14-17/h16-17H,4-10H2,1-3H3,(H2,13,14).
What are the key properties of N'-hydroxy-5-[2-hydroxyethyl(propyl)amino]-2,2-dimethylpentanimidamide?
N'-hydroxy-5-[2-hydroxyethyl(propyl)amino]-2,2-dimethylpentanimidamide has a molecular weight of 245.37 g/mol, XLogP of 1.24, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-[2-hydroxyethyl(propyl)amino]-2,2-dimethylpentanimidamide is sourced from PubChem (CID 77063745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).