N'-hydroxy-5-[2-(hydroxymethyl)azepan-1-yl]pentanimidamide

C12H25N3O2 — CID 104891519

IUPACN'-hydroxy-5-[2-(hydroxymethyl)azepan-1-yl]pentanimidamide
SMILESNC(CCCCN1CCCCCC1CO)=NO
InChIInChI=1S/C12H25N3O2/c13-12(14-17)7-3-5-9-15-8-4-1-2-6-11(15)10-16/h11,16-17H,1-10H2,(H2,13,14)
InChIKeyVDMBXJYKDTXARO-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.14
Rot. Bonds6

About N'-hydroxy-5-[2-(hydroxymethyl)azepan-1-yl]pentanimidamide

N'-hydroxy-5-[2-(hydroxymethyl)azepan-1-yl]pentanimidamide (PubChem CID 104891519) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is N'-hydroxy-5-[2-(hydroxymethyl)azepan-1-yl]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-5-[2-(hydroxymethyl)azepan-1-yl]pentanimidamide
PubChem CID104891519
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC NameN'-hydroxy-5-[2-(hydroxymethyl)azepan-1-yl]pentanimidamide
SMILESNC(CCCCN1CCCCCC1CO)=NO
InChIInChI=1S/C12H25N3O2/c13-12(14-17)7-3-5-9-15-8-4-1-2-6-11(15)10-16/h11,16-17H,1-10H2,(H2,13,14)
InChIKeyVDMBXJYKDTXARO-UHFFFAOYSA-N
XLogP1.14
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.14
H-Bond Donors ≤ 53
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

3,3,3-trifluoro-N'-hydroxy-2-[[2-(hydroxymethyl)azepan-1-yl]methyl]propanimidamide
CID 103370223
[(2S)-5-methoxyiminoazepan-2-yl]methanol
CID 172288388
ethane;[(6E)-6-methoxyiminoazepan-2-yl]methanol
CID 172288887
[(2S)-6-methoxyiminoazepan-2-yl]methanol
CID 172289075
N'-hydroxy-4-[2-(2-hydroxyethyl)piperidin-1-yl]butanimidamide
CID 24705535
N'-hydroxy-5-[2-(2-hydroxyethyl)piperidin-1-yl]pentanimidamide
CID 54965966
N'-hydroxy-4-[2-(hydroxymethyl)piperidin-1-yl]butanimidamide
CID 61406593
N'-hydroxy-3-[2-(hydroxymethyl)piperidin-1-yl]propanimidamide
CID 61406595
N'-hydroxy-5-[2-(hydroxymethyl)piperidin-1-yl]pentanimidamide
CID 61524532
N'-hydroxy-4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]butanimidamide
CID 76943933
N'-hydroxy-5-[2-(3-hydroxypropyl)pyrrolidin-1-yl]pentanimidamide
CID 76943976
N'-hydroxy-3-[(2-hydroxycycloheptyl)amino]propanimidamide
CID 104281291

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-[2-(hydroxymethyl)azepan-1-yl]pentanimidamide?
The IUPAC name of N'-hydroxy-5-[2-(hydroxymethyl)azepan-1-yl]pentanimidamide (CID 104891519) is N'-hydroxy-5-[2-(hydroxymethyl)azepan-1-yl]pentanimidamide.
What is the SMILES notation for N'-hydroxy-5-[2-(hydroxymethyl)azepan-1-yl]pentanimidamide?
The canonical SMILES for N'-hydroxy-5-[2-(hydroxymethyl)azepan-1-yl]pentanimidamide is NC(CCCCN1CCCCCC1CO)=NO.
What is the InChIKey of N'-hydroxy-5-[2-(hydroxymethyl)azepan-1-yl]pentanimidamide?
The InChIKey is VDMBXJYKDTXARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c13-12(14-17)7-3-5-9-15-8-4-1-2-6-11(15)10-16/h11,16-17H,1-10H2,(H2,13,14).
What are the key properties of N'-hydroxy-5-[2-(hydroxymethyl)azepan-1-yl]pentanimidamide?
N'-hydroxy-5-[2-(hydroxymethyl)azepan-1-yl]pentanimidamide has a molecular weight of 243.35 g/mol, XLogP of 1.14, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-[2-(hydroxymethyl)azepan-1-yl]pentanimidamide is sourced from PubChem (CID 104891519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).