2-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide

C8H17N3O2 — CID 76915051

IUPAC2-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide
SMILESCC(C(N)=NO)N(CCO)C1CC1
InChIInChI=1S/C8H17N3O2/c1-6(8(9)10-13)11(4-5-12)7-2-3-7/h6-7,12-13H,2-5H2,1H3,(H2,9,10)
InChIKeyHRVQLKVXFCAOBD-UHFFFAOYSA-N
MW187.24 g/mol
LogP-0.42
Rot. Bonds5

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

2-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide (PubChem CID 76915051) has the molecular formula C8H17N3O2 and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide
PubChem CID76915051
Molecular FormulaC8H17N3O2
Molecular Weight187.24 g/mol
Exact Mass187.13
IUPAC Name2-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide
SMILESCC(C(N)=NO)N(CCO)C1CC1
InChIInChI=1S/C8H17N3O2/c1-6(8(9)10-13)11(4-5-12)7-2-3-7/h6-7,12-13H,2-5H2,1H3,(H2,9,10)
InChIKeyHRVQLKVXFCAOBD-UHFFFAOYSA-N
XLogP-0.42
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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'}

Analyze 2-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide?
The IUPAC name of 2-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide (CID 76915051) is 2-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide?
The canonical SMILES for 2-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide is CC(C(N)=NO)N(CCO)C1CC1.
What is the InChIKey of 2-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide?
The InChIKey is HRVQLKVXFCAOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2/c1-6(8(9)10-13)11(4-5-12)7-2-3-7/h6-7,12-13H,2-5H2,1H3,(H2,9,10).
What are the key properties of 2-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide?
2-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide has a molecular weight of 187.24 g/mol, XLogP of -0.42, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 76915051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).