N'-hydroxy-3-(3-methoxypropylamino)propanimidamide

C7H17N3O2 — CID 54847063

IUPACN'-hydroxy-3-(3-methoxypropylamino)propanimidamide
SMILESCOCCCNCC/C(N)=N/O
InChIInChI=1S/C7H17N3O2/c1-12-6-2-4-9-5-3-7(8)10-11/h9,11H,2-6H2,1H3,(H2,8,10)
InChIKeyRLERYQLWRMWDEH-UHFFFAOYSA-N
MW175.23 g/mol
LogP-0.25
Rot. Bonds7

About N'-hydroxy-3-(3-methoxypropylamino)propanimidamide

N'-hydroxy-3-(3-methoxypropylamino)propanimidamide (PubChem CID 54847063) has the molecular formula C7H17N3O2 and a molecular weight of 175.23 g/mol. Its IUPAC name is N'-hydroxy-3-(3-methoxypropylamino)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(3-methoxypropylamino)propanimidamide
PubChem CID54847063
Molecular FormulaC7H17N3O2
Molecular Weight175.23 g/mol
Exact Mass175.13
IUPAC NameN'-hydroxy-3-(3-methoxypropylamino)propanimidamide
SMILESCOCCCNCC/C(N)=N/O
InChIInChI=1S/C7H17N3O2/c1-12-6-2-4-9-5-3-7(8)10-11/h9,11H,2-6H2,1H3,(H2,8,10)
InChIKeyRLERYQLWRMWDEH-UHFFFAOYSA-N
XLogP-0.25
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 5-0.25
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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(3-methoxypropylamino)propanimidamide?
The IUPAC name of N'-hydroxy-3-(3-methoxypropylamino)propanimidamide (CID 54847063) is N'-hydroxy-3-(3-methoxypropylamino)propanimidamide.
What is the SMILES notation for N'-hydroxy-3-(3-methoxypropylamino)propanimidamide?
The canonical SMILES for N'-hydroxy-3-(3-methoxypropylamino)propanimidamide is COCCCNCC/C(N)=N/O.
What is the InChIKey of N'-hydroxy-3-(3-methoxypropylamino)propanimidamide?
The InChIKey is RLERYQLWRMWDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O2/c1-12-6-2-4-9-5-3-7(8)10-11/h9,11H,2-6H2,1H3,(H2,8,10).
What are the key properties of N'-hydroxy-3-(3-methoxypropylamino)propanimidamide?
N'-hydroxy-3-(3-methoxypropylamino)propanimidamide has a molecular weight of 175.23 g/mol, XLogP of -0.25, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(3-methoxypropylamino)propanimidamide is sourced from PubChem (CID 54847063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).