3-(dipropylamino)-N'-hydroxybutanimidamide

C10H23N3O — CID 76883738

IUPAC3-(dipropylamino)-N'-hydroxybutanimidamide
SMILESCCCN(CCC)C(C)CC(N)=NO
InChIInChI=1S/C10H23N3O/c1-4-6-13(7-5-2)9(3)8-10(11)12-14/h9,14H,4-8H2,1-3H3,(H2,11,12)
InChIKeyABUPYPZZXOLTQX-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.63
Rot. Bonds7

About 3-(dipropylamino)-N'-hydroxybutanimidamide

3-(dipropylamino)-N'-hydroxybutanimidamide (PubChem CID 76883738) has the molecular formula C10H23N3O and a molecular weight of 201.31 g/mol. Its IUPAC name is 3-(dipropylamino)-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name3-(dipropylamino)-N'-hydroxybutanimidamide
PubChem CID76883738
Molecular FormulaC10H23N3O
Molecular Weight201.31 g/mol
Exact Mass201.18
IUPAC Name3-(dipropylamino)-N'-hydroxybutanimidamide
SMILESCCCN(CCC)C(C)CC(N)=NO
InChIInChI=1S/C10H23N3O/c1-4-6-13(7-5-2)9(3)8-10(11)12-14/h9,14H,4-8H2,1-3H3,(H2,11,12)
InChIKeyABUPYPZZXOLTQX-UHFFFAOYSA-N
XLogP1.63
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.63
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 3-(dipropylamino)-N'-hydroxybutanimidamide?
The IUPAC name of 3-(dipropylamino)-N'-hydroxybutanimidamide (CID 76883738) is 3-(dipropylamino)-N'-hydroxybutanimidamide.
What is the SMILES notation for 3-(dipropylamino)-N'-hydroxybutanimidamide?
The canonical SMILES for 3-(dipropylamino)-N'-hydroxybutanimidamide is CCCN(CCC)C(C)CC(N)=NO.
What is the InChIKey of 3-(dipropylamino)-N'-hydroxybutanimidamide?
The InChIKey is ABUPYPZZXOLTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O/c1-4-6-13(7-5-2)9(3)8-10(11)12-14/h9,14H,4-8H2,1-3H3,(H2,11,12).
What are the key properties of 3-(dipropylamino)-N'-hydroxybutanimidamide?
3-(dipropylamino)-N'-hydroxybutanimidamide has a molecular weight of 201.31 g/mol, XLogP of 1.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dipropylamino)-N'-hydroxybutanimidamide is sourced from PubChem (CID 76883738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).