2-(4-hydroxy-4-methylazepan-1-yl)ethanimidamide

C9H19N3O — CID 107404859

IUPAC2-(4-hydroxy-4-methylazepan-1-yl)ethanimidamide
SMILES[H]/N=C(\N)CN1CCCC(C)(O)CC1
InChIInChI=1S/C9H19N3O/c1-9(13)3-2-5-12(6-4-9)7-8(10)11/h13H,2-7H2,1H3,(H3,10,11)
InChIKeyIMZILUITCBGAIQ-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.16
Rot. Bonds2

About 2-(4-hydroxy-4-methylazepan-1-yl)ethanimidamide

2-(4-hydroxy-4-methylazepan-1-yl)ethanimidamide (PubChem CID 107404859) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-(4-hydroxy-4-methylazepan-1-yl)ethanimidamide.

Molecular Properties

Compound Name2-(4-hydroxy-4-methylazepan-1-yl)ethanimidamide
PubChem CID107404859
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name2-(4-hydroxy-4-methylazepan-1-yl)ethanimidamide
SMILES[H]/N=C(\N)CN1CCCC(C)(O)CC1
InChIInChI=1S/C9H19N3O/c1-9(13)3-2-5-12(6-4-9)7-8(10)11/h13H,2-7H2,1H3,(H3,10,11)
InChIKeyIMZILUITCBGAIQ-UHFFFAOYSA-N
XLogP0.16
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-2-[4-hydroxy-4-(trifluoromethyl)azepan-1-yl]ethanimidamide
CID 112737689
3,3,3-Trifluoro-2-[(4-hydroxy-4-methylazepan-1-yl)methyl]propanimidamide
CID 113955221
1-(2-Aminoethyl)-4-methylazepan-4-ol
CID 107403945
N'-hydroxy-3-(4-hydroxy-4-methylazepan-1-yl)-2-methylpropanimidamide
CID 107404776
N'-hydroxy-2-(4-hydroxy-4-methylazepan-1-yl)propanimidamide
CID 107404787
N'-hydroxy-3-(4-hydroxy-4-methylazepan-1-yl)propanimidamide
CID 107404791
N'-hydroxy-2-(4-hydroxy-4-methylazepan-1-yl)butanimidamide
CID 107404795
N'-hydroxy-2-(4-hydroxy-4-methylazepan-1-yl)ethanimidamide
CID 107404797
N'-hydroxy-4-(4-hydroxy-4-methylazepan-1-yl)butanimidamide
CID 107404800
2-(4-Hydroxy-4-methylazepan-1-yl)propanimidamide
CID 107404839
5-(4-Hydroxy-4-methylazepan-1-yl)pentanimidamide
CID 107404841
3-(4-Hydroxy-4-methylazepan-1-yl)pentanimidamide
CID 107404842

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-4-methylazepan-1-yl)ethanimidamide?
The IUPAC name of 2-(4-hydroxy-4-methylazepan-1-yl)ethanimidamide (CID 107404859) is 2-(4-hydroxy-4-methylazepan-1-yl)ethanimidamide.
What is the SMILES notation for 2-(4-hydroxy-4-methylazepan-1-yl)ethanimidamide?
The canonical SMILES for 2-(4-hydroxy-4-methylazepan-1-yl)ethanimidamide is [H]/N=C(\N)CN1CCCC(C)(O)CC1.
What is the InChIKey of 2-(4-hydroxy-4-methylazepan-1-yl)ethanimidamide?
The InChIKey is IMZILUITCBGAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-9(13)3-2-5-12(6-4-9)7-8(10)11/h13H,2-7H2,1H3,(H3,10,11).
What are the key properties of 2-(4-hydroxy-4-methylazepan-1-yl)ethanimidamide?
2-(4-hydroxy-4-methylazepan-1-yl)ethanimidamide has a molecular weight of 185.27 g/mol, XLogP of 0.16, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-4-methylazepan-1-yl)ethanimidamide is sourced from PubChem (CID 107404859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).