N'-hydroxy-2,2-dimethyl-5-(2-methyl-1,4-oxazepan-4-yl)pentanimidamide

C13H27N3O2 — CID 77063916

IUPACN'-hydroxy-2,2-dimethyl-5-(2-methyl-1,4-oxazepan-4-yl)pentanimidamide
SMILESCC1CN(CCCC(C)(C)C(N)=NO)CCCO1
InChIInChI=1S/C13H27N3O2/c1-11-10-16(8-5-9-18-11)7-4-6-13(2,3)12(14)15-17/h11,17H,4-10H2,1-3H3,(H2,14,15)
InChIKeyLKOJECMPBIFEJH-UHFFFAOYSA-N
MW257.38 g/mol
LogP1.65
Rot. Bonds5

About N'-hydroxy-2,2-dimethyl-5-(2-methyl-1,4-oxazepan-4-yl)pentanimidamide

N'-hydroxy-2,2-dimethyl-5-(2-methyl-1,4-oxazepan-4-yl)pentanimidamide (PubChem CID 77063916) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is N'-hydroxy-2,2-dimethyl-5-(2-methyl-1,4-oxazepan-4-yl)pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2,2-dimethyl-5-(2-methyl-1,4-oxazepan-4-yl)pentanimidamide
PubChem CID77063916
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC NameN'-hydroxy-2,2-dimethyl-5-(2-methyl-1,4-oxazepan-4-yl)pentanimidamide
SMILESCC1CN(CCCC(C)(C)C(N)=NO)CCCO1
InChIInChI=1S/C13H27N3O2/c1-11-10-16(8-5-9-18-11)7-4-6-13(2,3)12(14)15-17/h11,17H,4-10H2,1-3H3,(H2,14,15)
InChIKeyLKOJECMPBIFEJH-UHFFFAOYSA-N
XLogP1.65
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 51.65
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
N'-hydroxy-5-(2-methyl-1,4-oxazepan-4-yl)pentanimidamide
CID 76979643
5-[3-(dimethylamino)piperidin-1-yl]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77109637
N'-hydroxy-2,2-dimethyl-5-[3-(trifluoromethyl)piperidin-1-yl]pentanimidamide
CID 77073400
5-(5-ethyl-2-methylmorpholin-4-yl)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063744
3-(aminomethyl)-6-(2-methyl-1,4-oxazepan-4-yl)hexan-3-ol
CID 106811332
2,2-dimethyl-5-(2-methylmorpholin-4-yl)pentanimidamide
CID 65258854
3-(2-methyl-1,4-oxazepan-4-yl)propan-1-amine
CID 62987056
N'-hydroxy-6-[3-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylhexanimidamide
CID 106710748
2-methyl-5-(2-methyl-1,4-oxazepan-4-yl)-2-(propylamino)pentanamide
CID 62974573
N'-hydroxy-5-(3-methoxy-4-methylpiperidin-1-yl)-2,2-dimethylpentanimidamide
CID 102958330
N'-hydroxy-2,2-dimethyl-4-piperidin-1-ylbutanimidamide
CID 77062923

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2,2-dimethyl-5-(2-methyl-1,4-oxazepan-4-yl)pentanimidamide?
The IUPAC name of N'-hydroxy-2,2-dimethyl-5-(2-methyl-1,4-oxazepan-4-yl)pentanimidamide (CID 77063916) is N'-hydroxy-2,2-dimethyl-5-(2-methyl-1,4-oxazepan-4-yl)pentanimidamide.
What is the SMILES notation for N'-hydroxy-2,2-dimethyl-5-(2-methyl-1,4-oxazepan-4-yl)pentanimidamide?
The canonical SMILES for N'-hydroxy-2,2-dimethyl-5-(2-methyl-1,4-oxazepan-4-yl)pentanimidamide is CC1CN(CCCC(C)(C)C(N)=NO)CCCO1.
What is the InChIKey of N'-hydroxy-2,2-dimethyl-5-(2-methyl-1,4-oxazepan-4-yl)pentanimidamide?
The InChIKey is LKOJECMPBIFEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-11-10-16(8-5-9-18-11)7-4-6-13(2,3)12(14)15-17/h11,17H,4-10H2,1-3H3,(H2,14,15).
What are the key properties of N'-hydroxy-2,2-dimethyl-5-(2-methyl-1,4-oxazepan-4-yl)pentanimidamide?
N'-hydroxy-2,2-dimethyl-5-(2-methyl-1,4-oxazepan-4-yl)pentanimidamide has a molecular weight of 257.38 g/mol, XLogP of 1.65, 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-methyl-1,4-oxazepan-4-yl)pentanimidamide is sourced from PubChem (CID 77063916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).