N'-hydroxy-2-(4-methylazepan-1-yl)propanimidamide

C10H21N3O — CID 63624642

IUPACN'-hydroxy-2-(4-methylazepan-1-yl)propanimidamide
SMILESCC1CCCN(C(C)/C(N)=N/O)CC1
InChIInChI=1S/C10H21N3O/c1-8-4-3-6-13(7-5-8)9(2)10(11)12-14/h8-9,14H,3-7H2,1-2H3,(H2,11,12)
InChIKeyVCTYTRMVEDQSQL-UHFFFAOYSA-N
MW199.30 g/mol
LogP1.24
Rot. Bonds2

About N'-hydroxy-2-(4-methylazepan-1-yl)propanimidamide

N'-hydroxy-2-(4-methylazepan-1-yl)propanimidamide (PubChem CID 63624642) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is N'-hydroxy-2-(4-methylazepan-1-yl)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(4-methylazepan-1-yl)propanimidamide
PubChem CID63624642
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC NameN'-hydroxy-2-(4-methylazepan-1-yl)propanimidamide
SMILESCC1CCCN(C(C)/C(N)=N/O)CC1
InChIInChI=1S/C10H21N3O/c1-8-4-3-6-13(7-5-8)9(2)10(11)12-14/h8-9,14H,3-7H2,1-2H3,(H2,11,12)
InChIKeyVCTYTRMVEDQSQL-UHFFFAOYSA-N
XLogP1.24
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(4-methylazepan-1-yl)propanimidamide?
The IUPAC name of N'-hydroxy-2-(4-methylazepan-1-yl)propanimidamide (CID 63624642) is N'-hydroxy-2-(4-methylazepan-1-yl)propanimidamide.
What is the SMILES notation for N'-hydroxy-2-(4-methylazepan-1-yl)propanimidamide?
The canonical SMILES for N'-hydroxy-2-(4-methylazepan-1-yl)propanimidamide is CC1CCCN(C(C)/C(N)=N/O)CC1.
What is the InChIKey of N'-hydroxy-2-(4-methylazepan-1-yl)propanimidamide?
The InChIKey is VCTYTRMVEDQSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-8-4-3-6-13(7-5-8)9(2)10(11)12-14/h8-9,14H,3-7H2,1-2H3,(H2,11,12).
What are the key properties of N'-hydroxy-2-(4-methylazepan-1-yl)propanimidamide?
N'-hydroxy-2-(4-methylazepan-1-yl)propanimidamide has a molecular weight of 199.30 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(4-methylazepan-1-yl)propanimidamide is sourced from PubChem (CID 63624642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).