3-(4-hydroxy-4-methylazepan-1-yl)pentanimidamide

C12H25N3O — CID 107404842

IUPAC3-(4-hydroxy-4-methylazepan-1-yl)pentanimidamide
SMILES[H]/N=C(\N)CC(CC)N1CCCC(C)(O)CC1
InChIInChI=1S/C12H25N3O/c1-3-10(9-11(13)14)15-7-4-5-12(2,16)6-8-15/h10,16H,3-9H2,1-2H3,(H3,13,14)
InChIKeyITZBAFWNBCKGHV-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.33
Rot. Bonds4

About 3-(4-hydroxy-4-methylazepan-1-yl)pentanimidamide

3-(4-hydroxy-4-methylazepan-1-yl)pentanimidamide (PubChem CID 107404842) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 3-(4-hydroxy-4-methylazepan-1-yl)pentanimidamide.

Molecular Properties

Compound Name3-(4-hydroxy-4-methylazepan-1-yl)pentanimidamide
PubChem CID107404842
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name3-(4-hydroxy-4-methylazepan-1-yl)pentanimidamide
SMILES[H]/N=C(\N)CC(CC)N1CCCC(C)(O)CC1
InChIInChI=1S/C12H25N3O/c1-3-10(9-11(13)14)15-7-4-5-12(2,16)6-8-15/h10,16H,3-9H2,1-2H3,(H3,13,14)
InChIKeyITZBAFWNBCKGHV-UHFFFAOYSA-N
XLogP1.33
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.33
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

3,3,3-Trifluoro-2-[(4-hydroxy-4-methylazepan-1-yl)methyl]propanimidamide
CID 113955221
N'-hydroxy-3-(4-hydroxy-4-methylazepan-1-yl)-2-methylpropanimidamide
CID 107404776
N'-hydroxy-3-(4-hydroxy-4-methylazepan-1-yl)butanimidamide
CID 107404781
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-3-(4-hydroxy-4-methylazepan-1-yl)pentanimidamide
CID 107404798
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
2-(4-Hydroxy-4-methylazepan-1-yl)butanimidamide
CID 107404849
3-(4-Hydroxy-4-methylazepan-1-yl)butanimidamide
CID 107404850

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxy-4-methylazepan-1-yl)pentanimidamide?
The IUPAC name of 3-(4-hydroxy-4-methylazepan-1-yl)pentanimidamide (CID 107404842) is 3-(4-hydroxy-4-methylazepan-1-yl)pentanimidamide.
What is the SMILES notation for 3-(4-hydroxy-4-methylazepan-1-yl)pentanimidamide?
The canonical SMILES for 3-(4-hydroxy-4-methylazepan-1-yl)pentanimidamide is [H]/N=C(\N)CC(CC)N1CCCC(C)(O)CC1.
What is the InChIKey of 3-(4-hydroxy-4-methylazepan-1-yl)pentanimidamide?
The InChIKey is ITZBAFWNBCKGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-3-10(9-11(13)14)15-7-4-5-12(2,16)6-8-15/h10,16H,3-9H2,1-2H3,(H3,13,14).
What are the key properties of 3-(4-hydroxy-4-methylazepan-1-yl)pentanimidamide?
3-(4-hydroxy-4-methylazepan-1-yl)pentanimidamide has a molecular weight of 227.35 g/mol, XLogP of 1.33, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxy-4-methylazepan-1-yl)pentanimidamide is sourced from PubChem (CID 107404842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).