5-(5-ethyl-2-methylmorpholin-4-yl)-N'-hydroxy-2,2-dimethylpentanimidamide

C14H29N3O2 — CID 77063744

IUPAC5-(5-ethyl-2-methylmorpholin-4-yl)-N'-hydroxy-2,2-dimethylpentanimidamide
SMILESCCC1COC(C)CN1CCCC(C)(C)C(N)=NO
InChIInChI=1S/C14H29N3O2/c1-5-12-10-19-11(2)9-17(12)8-6-7-14(3,4)13(15)16-18/h11-12,18H,5-10H2,1-4H3,(H2,15,16)
InChIKeyJNKASQLTUJWZGG-UHFFFAOYSA-N
MW271.40 g/mol
LogP2.04
Rot. Bonds6

About 5-(5-ethyl-2-methylmorpholin-4-yl)-N'-hydroxy-2,2-dimethylpentanimidamide

5-(5-ethyl-2-methylmorpholin-4-yl)-N'-hydroxy-2,2-dimethylpentanimidamide (PubChem CID 77063744) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is 5-(5-ethyl-2-methylmorpholin-4-yl)-N'-hydroxy-2,2-dimethylpentanimidamide.

Molecular Properties

Compound Name5-(5-ethyl-2-methylmorpholin-4-yl)-N'-hydroxy-2,2-dimethylpentanimidamide
PubChem CID77063744
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Name5-(5-ethyl-2-methylmorpholin-4-yl)-N'-hydroxy-2,2-dimethylpentanimidamide
SMILESCCC1COC(C)CN1CCCC(C)(C)C(N)=NO
InChIInChI=1S/C14H29N3O2/c1-5-12-10-19-11(2)9-17(12)8-6-7-14(3,4)13(15)16-18/h11-12,18H,5-10H2,1-4H3,(H2,15,16)
InChIKeyJNKASQLTUJWZGG-UHFFFAOYSA-N
XLogP2.04
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 52.04
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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Related Compounds

N'-hydroxy-2,2-dimethyl-5-(2-methylmorpholin-4-yl)pentanimidamide
CID 77063063
3-(5-ethyl-2-methylmorpholin-4-yl)propan-1-ol
CID 60692406
N'-hydroxy-2,2-dimethyl-5-(2-methyl-1,4-oxazepan-4-yl)pentanimidamide
CID 77063916
5-(5-ethyl-2-methylmorpholin-4-yl)pentan-1-ol
CID 62229159
2-ethyl-5-(5-ethyl-2-methylmorpholin-4-yl)-2-(methylamino)pentanoic acid
CID 106806024
3-(5-ethyl-2-methylmorpholin-4-yl)-N'-hydroxy-2-methylpropanimidamide
CID 61424242
N-tert-butyl-5-(5-ethyl-2-methylmorpholin-4-yl)pentan-1-amine
CID 62462120
5-(5-ethyl-2-methylmorpholin-4-yl)-2-methylpentan-1-amine
CID 82683901
4-(3-azidopropyl)-5-ethyl-2-methylmorpholine
CID 61424062
5-ethyl-4-(2-fluoroethyl)-2-methylmorpholine
CID 130685633
N'-hydroxy-2,2-dimethyl-6-(3-methylmorpholin-4-yl)hexanimidamide
CID 106710735
3-(5-ethyl-2-methylmorpholin-4-yl)propane-1-sulfonyl chloride
CID 112594679

Frequently Asked Questions

What is the IUPAC name of 5-(5-ethyl-2-methylmorpholin-4-yl)-N'-hydroxy-2,2-dimethylpentanimidamide?
The IUPAC name of 5-(5-ethyl-2-methylmorpholin-4-yl)-N'-hydroxy-2,2-dimethylpentanimidamide (CID 77063744) is 5-(5-ethyl-2-methylmorpholin-4-yl)-N'-hydroxy-2,2-dimethylpentanimidamide.
What is the SMILES notation for 5-(5-ethyl-2-methylmorpholin-4-yl)-N'-hydroxy-2,2-dimethylpentanimidamide?
The canonical SMILES for 5-(5-ethyl-2-methylmorpholin-4-yl)-N'-hydroxy-2,2-dimethylpentanimidamide is CCC1COC(C)CN1CCCC(C)(C)C(N)=NO.
What is the InChIKey of 5-(5-ethyl-2-methylmorpholin-4-yl)-N'-hydroxy-2,2-dimethylpentanimidamide?
The InChIKey is JNKASQLTUJWZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-5-12-10-19-11(2)9-17(12)8-6-7-14(3,4)13(15)16-18/h11-12,18H,5-10H2,1-4H3,(H2,15,16).
What are the key properties of 5-(5-ethyl-2-methylmorpholin-4-yl)-N'-hydroxy-2,2-dimethylpentanimidamide?
5-(5-ethyl-2-methylmorpholin-4-yl)-N'-hydroxy-2,2-dimethylpentanimidamide has a molecular weight of 271.40 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-ethyl-2-methylmorpholin-4-yl)-N'-hydroxy-2,2-dimethylpentanimidamide is sourced from PubChem (CID 77063744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).