N'-hydroxy-2-(3-methylmorpholine-4-carbonyl)-2-propylpentanimidamide

C14H27N3O3 — CID 76926242

IUPACN'-hydroxy-2-(3-methylmorpholine-4-carbonyl)-2-propylpentanimidamide
SMILESCCCC(CCC)(C(=O)N1CCOCC1C)C(N)=NO
InChIInChI=1S/C14H27N3O3/c1-4-6-14(7-5-2,12(15)16-19)13(18)17-8-9-20-10-11(17)3/h11,19H,4-10H2,1-3H3,(H2,15,16)
InChIKeySGDXKABUMHOKSD-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.57
Rot. Bonds6

About N'-hydroxy-2-(3-methylmorpholine-4-carbonyl)-2-propylpentanimidamide

N'-hydroxy-2-(3-methylmorpholine-4-carbonyl)-2-propylpentanimidamide (PubChem CID 76926242) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is N'-hydroxy-2-(3-methylmorpholine-4-carbonyl)-2-propylpentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(3-methylmorpholine-4-carbonyl)-2-propylpentanimidamide
PubChem CID76926242
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC NameN'-hydroxy-2-(3-methylmorpholine-4-carbonyl)-2-propylpentanimidamide
SMILESCCCC(CCC)(C(=O)N1CCOCC1C)C(N)=NO
InChIInChI=1S/C14H27N3O3/c1-4-6-14(7-5-2,12(15)16-19)13(18)17-8-9-20-10-11(17)3/h11,19H,4-10H2,1-3H3,(H2,15,16)
InChIKeySGDXKABUMHOKSD-UHFFFAOYSA-N
XLogP1.57
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.57
H-Bond Donors ≤ 52
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-2-(3-methylmorpholine-4-carbonyl)-2-propylpentanimidamide?
The IUPAC name of N'-hydroxy-2-(3-methylmorpholine-4-carbonyl)-2-propylpentanimidamide (CID 76926242) is N'-hydroxy-2-(3-methylmorpholine-4-carbonyl)-2-propylpentanimidamide.
What is the SMILES notation for N'-hydroxy-2-(3-methylmorpholine-4-carbonyl)-2-propylpentanimidamide?
The canonical SMILES for N'-hydroxy-2-(3-methylmorpholine-4-carbonyl)-2-propylpentanimidamide is CCCC(CCC)(C(=O)N1CCOCC1C)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-(3-methylmorpholine-4-carbonyl)-2-propylpentanimidamide?
The InChIKey is SGDXKABUMHOKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-4-6-14(7-5-2,12(15)16-19)13(18)17-8-9-20-10-11(17)3/h11,19H,4-10H2,1-3H3,(H2,15,16).
What are the key properties of N'-hydroxy-2-(3-methylmorpholine-4-carbonyl)-2-propylpentanimidamide?
N'-hydroxy-2-(3-methylmorpholine-4-carbonyl)-2-propylpentanimidamide has a molecular weight of 285.39 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(3-methylmorpholine-4-carbonyl)-2-propylpentanimidamide is sourced from PubChem (CID 76926242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).