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

C11H23N3O2 — CID 76979643

IUPACN'-hydroxy-5-(2-methyl-1,4-oxazepan-4-yl)pentanimidamide
SMILESCC1CN(CCCCC(N)=NO)CCCO1
InChIInChI=1S/C11H23N3O2/c1-10-9-14(7-4-8-16-10)6-3-2-5-11(12)13-15/h10,15H,2-9H2,1H3,(H2,12,13)
InChIKeyIWTVUVOGSHTZIW-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.01
Rot. Bonds5

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

N'-hydroxy-5-(2-methyl-1,4-oxazepan-4-yl)pentanimidamide (PubChem CID 76979643) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is N'-hydroxy-5-(2-methyl-1,4-oxazepan-4-yl)pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-5-(2-methyl-1,4-oxazepan-4-yl)pentanimidamide
PubChem CID76979643
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC NameN'-hydroxy-5-(2-methyl-1,4-oxazepan-4-yl)pentanimidamide
SMILESCC1CN(CCCCC(N)=NO)CCCO1
InChIInChI=1S/C11H23N3O2/c1-10-9-14(7-4-8-16-10)6-3-2-5-11(12)13-15/h10,15H,2-9H2,1H3,(H2,12,13)
InChIKeyIWTVUVOGSHTZIW-UHFFFAOYSA-N
XLogP1.01
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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
3-(2-methyl-1,4-oxazepan-4-yl)propan-1-amine
CID 62987056
4-(2-methyl-1,4-oxazepan-4-yl)butanehydrazide
CID 63583172
4-(9-bromononyl)-2-methyl-1,4-oxazepane
CID 105343753
4-(2,6-dimethylmorpholin-4-yl)-N'-hydroxybutanimidamide
CID 24710363
6-(2-methyl-1,4-oxazepan-4-yl)hexan-2-amine
CID 62986916
N'-hydroxy-5-piperidin-1-ylpentanimidamide
CID 6015018
N'-hydroxy-5-(3,4,5-trimethylpiperazin-1-yl)pentanimidamide
CID 104937397
6-(2-methyl-1,4-oxazepan-4-yl)hexan-3-amine
CID 106799763
4-(2-methyl-1,4-oxazepan-4-yl)-1-phenylbutan-1-one
CID 55153161
N'-hydroxy-2,2-dimethyl-5-(2-methylmorpholin-4-yl)pentanimidamide
CID 77063063
N'-hydroxy-5-(3-methoxy-4-methylpiperidin-1-yl)pentanimidamide
CID 102958343

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-(2-methyl-1,4-oxazepan-4-yl)pentanimidamide?
The IUPAC name of N'-hydroxy-5-(2-methyl-1,4-oxazepan-4-yl)pentanimidamide (CID 76979643) is N'-hydroxy-5-(2-methyl-1,4-oxazepan-4-yl)pentanimidamide.
What is the SMILES notation for N'-hydroxy-5-(2-methyl-1,4-oxazepan-4-yl)pentanimidamide?
The canonical SMILES for N'-hydroxy-5-(2-methyl-1,4-oxazepan-4-yl)pentanimidamide is CC1CN(CCCCC(N)=NO)CCCO1.
What is the InChIKey of N'-hydroxy-5-(2-methyl-1,4-oxazepan-4-yl)pentanimidamide?
The InChIKey is IWTVUVOGSHTZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-10-9-14(7-4-8-16-10)6-3-2-5-11(12)13-15/h10,15H,2-9H2,1H3,(H2,12,13).
What are the key properties of N'-hydroxy-5-(2-methyl-1,4-oxazepan-4-yl)pentanimidamide?
N'-hydroxy-5-(2-methyl-1,4-oxazepan-4-yl)pentanimidamide has a molecular weight of 229.32 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-(2-methyl-1,4-oxazepan-4-yl)pentanimidamide is sourced from PubChem (CID 76979643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).