N'-hydroxy-2,2-dimethyl-5-(2-methylmorpholin-4-yl)pentanimidamide

C12H25N3O2 — CID 77063063

IUPACN'-hydroxy-2,2-dimethyl-5-(2-methylmorpholin-4-yl)pentanimidamide
SMILESCC1CN(CCCC(C)(C)C(N)=NO)CCO1
InChIInChI=1S/C12H25N3O2/c1-10-9-15(7-8-17-10)6-4-5-12(2,3)11(13)14-16/h10,16H,4-9H2,1-3H3,(H2,13,14)
InChIKeyKMPAVOQYPPQSSB-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.26
Rot. Bonds5

About N'-hydroxy-2,2-dimethyl-5-(2-methylmorpholin-4-yl)pentanimidamide

N'-hydroxy-2,2-dimethyl-5-(2-methylmorpholin-4-yl)pentanimidamide (PubChem CID 77063063) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is N'-hydroxy-2,2-dimethyl-5-(2-methylmorpholin-4-yl)pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2,2-dimethyl-5-(2-methylmorpholin-4-yl)pentanimidamide
PubChem CID77063063
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC NameN'-hydroxy-2,2-dimethyl-5-(2-methylmorpholin-4-yl)pentanimidamide
SMILESCC1CN(CCCC(C)(C)C(N)=NO)CCO1
InChIInChI=1S/C12H25N3O2/c1-10-9-15(7-8-17-10)6-4-5-12(2,3)11(13)14-16/h10,16H,4-9H2,1-3H3,(H2,13,14)
InChIKeyKMPAVOQYPPQSSB-UHFFFAOYSA-N
XLogP1.26
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.26
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-methyl-1,4-oxazepan-4-yl)pentanimidamide
CID 77063916
2,2-dimethyl-5-(2-methylmorpholin-4-yl)pentanimidamide
CID 65258854
5-(5-ethyl-2-methylmorpholin-4-yl)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063744
N'-hydroxy-5-(3-methoxy-4-methylpiperidin-1-yl)-2,2-dimethylpentanimidamide
CID 102958330
2,2-dimethyl-6-(2-methylmorpholin-4-yl)hexan-1-amine
CID 106707845
2-methyl-4-(2-methylmorpholin-4-yl)butan-2-amine
CID 64678329
2-amino-2-ethyl-5-(2-methylmorpholin-4-yl)pentan-1-ol
CID 106809098
N'-hydroxy-2,2-dimethyl-5-[3-(trifluoromethyl)piperidin-1-yl]pentanimidamide
CID 77073400
5-[3-(dimethylamino)piperidin-1-yl]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77109637
N'-hydroxy-2,2-dimethyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)hexanimidamide
CID 106711385
N'-hydroxy-2,2-dimethyl-6-(4-methylpiperazin-1-yl)hexanimidamide
CID 106710684
N'-hydroxy-2,2-dimethyl-5-[4-(2-methylpropyl)piperazin-1-yl]pentanimidamide
CID 77063833

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2,2-dimethyl-5-(2-methylmorpholin-4-yl)pentanimidamide?
The IUPAC name of N'-hydroxy-2,2-dimethyl-5-(2-methylmorpholin-4-yl)pentanimidamide (CID 77063063) is N'-hydroxy-2,2-dimethyl-5-(2-methylmorpholin-4-yl)pentanimidamide.
What is the SMILES notation for N'-hydroxy-2,2-dimethyl-5-(2-methylmorpholin-4-yl)pentanimidamide?
The canonical SMILES for N'-hydroxy-2,2-dimethyl-5-(2-methylmorpholin-4-yl)pentanimidamide is CC1CN(CCCC(C)(C)C(N)=NO)CCO1.
What is the InChIKey of N'-hydroxy-2,2-dimethyl-5-(2-methylmorpholin-4-yl)pentanimidamide?
The InChIKey is KMPAVOQYPPQSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-10-9-15(7-8-17-10)6-4-5-12(2,3)11(13)14-16/h10,16H,4-9H2,1-3H3,(H2,13,14).
What are the key properties of N'-hydroxy-2,2-dimethyl-5-(2-methylmorpholin-4-yl)pentanimidamide?
N'-hydroxy-2,2-dimethyl-5-(2-methylmorpholin-4-yl)pentanimidamide has a molecular weight of 243.35 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2,2-dimethyl-5-(2-methylmorpholin-4-yl)pentanimidamide is sourced from PubChem (CID 77063063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).