4-[(2-cyclopropyl-2-hydroxyethyl)amino]-N'-hydroxybutanimidamide

C9H19N3O2 — CID 77027255

IUPAC4-[(2-cyclopropyl-2-hydroxyethyl)amino]-N'-hydroxybutanimidamide
SMILESNC(CCCNCC(O)C1CC1)=NO
InChIInChI=1S/C9H19N3O2/c10-9(12-14)2-1-5-11-6-8(13)7-3-4-7/h7-8,11,13-14H,1-6H2,(H2,10,12)
InChIKeyVRKOJLJWLAMLBW-UHFFFAOYSA-N
MW201.27 g/mol
LogP-0.13
Rot. Bonds7

About 4-[(2-cyclopropyl-2-hydroxyethyl)amino]-N'-hydroxybutanimidamide

4-[(2-cyclopropyl-2-hydroxyethyl)amino]-N'-hydroxybutanimidamide (PubChem CID 77027255) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is 4-[(2-cyclopropyl-2-hydroxyethyl)amino]-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name4-[(2-cyclopropyl-2-hydroxyethyl)amino]-N'-hydroxybutanimidamide
PubChem CID77027255
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC Name4-[(2-cyclopropyl-2-hydroxyethyl)amino]-N'-hydroxybutanimidamide
SMILESNC(CCCNCC(O)C1CC1)=NO
InChIInChI=1S/C9H19N3O2/c10-9(12-14)2-1-5-11-6-8(13)7-3-4-7/h7-8,11,13-14H,1-6H2,(H2,10,12)
InChIKeyVRKOJLJWLAMLBW-UHFFFAOYSA-N
XLogP-0.13
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-0.13
H-Bond Donors ≤ 54
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 4-[(2-cyclopropyl-2-hydroxyethyl)amino]-N'-hydroxybutanimidamide?
The IUPAC name of 4-[(2-cyclopropyl-2-hydroxyethyl)amino]-N'-hydroxybutanimidamide (CID 77027255) is 4-[(2-cyclopropyl-2-hydroxyethyl)amino]-N'-hydroxybutanimidamide.
What is the SMILES notation for 4-[(2-cyclopropyl-2-hydroxyethyl)amino]-N'-hydroxybutanimidamide?
The canonical SMILES for 4-[(2-cyclopropyl-2-hydroxyethyl)amino]-N'-hydroxybutanimidamide is NC(CCCNCC(O)C1CC1)=NO.
What is the InChIKey of 4-[(2-cyclopropyl-2-hydroxyethyl)amino]-N'-hydroxybutanimidamide?
The InChIKey is VRKOJLJWLAMLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c10-9(12-14)2-1-5-11-6-8(13)7-3-4-7/h7-8,11,13-14H,1-6H2,(H2,10,12).
What are the key properties of 4-[(2-cyclopropyl-2-hydroxyethyl)amino]-N'-hydroxybutanimidamide?
4-[(2-cyclopropyl-2-hydroxyethyl)amino]-N'-hydroxybutanimidamide has a molecular weight of 201.27 g/mol, XLogP of -0.13, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cyclopropyl-2-hydroxyethyl)amino]-N'-hydroxybutanimidamide is sourced from PubChem (CID 77027255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).