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

C11H23N3O — CID 107404849

IUPAC2-(4-hydroxy-4-methylazepan-1-yl)butanimidamide
SMILES[H]/N=C(\N)C(CC)N1CCCC(C)(O)CC1
InChIInChI=1S/C11H23N3O/c1-3-9(10(12)13)14-7-4-5-11(2,15)6-8-14/h9,15H,3-8H2,1-2H3,(H3,12,13)
InChIKeyRRNAJJJWXYQVNT-UHFFFAOYSA-N
MW213.32 g/mol
LogP0.94
Rot. Bonds3

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

2-(4-hydroxy-4-methylazepan-1-yl)butanimidamide (PubChem CID 107404849) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-(4-hydroxy-4-methylazepan-1-yl)butanimidamide.

Molecular Properties

Compound Name2-(4-hydroxy-4-methylazepan-1-yl)butanimidamide
PubChem CID107404849
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name2-(4-hydroxy-4-methylazepan-1-yl)butanimidamide
SMILES[H]/N=C(\N)C(CC)N1CCCC(C)(O)CC1
InChIInChI=1S/C11H23N3O/c1-3-9(10(12)13)14-7-4-5-11(2,15)6-8-14/h9,15H,3-8H2,1-2H3,(H3,12,13)
InChIKeyRRNAJJJWXYQVNT-UHFFFAOYSA-N
XLogP0.94
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.94
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

1-(1-Aminopropan-2-yl)-4-methylazepan-4-ol
CID 107403974
1-(1-Aminobutan-2-yl)-4-methylazepan-4-ol
CID 107403980
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-2-(4-hydroxy-4-methylazepan-1-yl)ethanimidamide
CID 107404797
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
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)butanimidamide?
The IUPAC name of 2-(4-hydroxy-4-methylazepan-1-yl)butanimidamide (CID 107404849) is 2-(4-hydroxy-4-methylazepan-1-yl)butanimidamide.
What is the SMILES notation for 2-(4-hydroxy-4-methylazepan-1-yl)butanimidamide?
The canonical SMILES for 2-(4-hydroxy-4-methylazepan-1-yl)butanimidamide is [H]/N=C(\N)C(CC)N1CCCC(C)(O)CC1.
What is the InChIKey of 2-(4-hydroxy-4-methylazepan-1-yl)butanimidamide?
The InChIKey is RRNAJJJWXYQVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-3-9(10(12)13)14-7-4-5-11(2,15)6-8-14/h9,15H,3-8H2,1-2H3,(H3,12,13).
What are the key properties of 2-(4-hydroxy-4-methylazepan-1-yl)butanimidamide?
2-(4-hydroxy-4-methylazepan-1-yl)butanimidamide has a molecular weight of 213.32 g/mol, XLogP of 0.94, 3 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)butanimidamide is sourced from PubChem (CID 107404849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).