N'-hydroxy-2-[1-[(2-hydroxypropylamino)methyl]cyclopropyl]ethanimidamide

C9H19N3O2 — CID 77070652

IUPACN'-hydroxy-2-[1-[(2-hydroxypropylamino)methyl]cyclopropyl]ethanimidamide
SMILESCC(O)CNCC1(CC(N)=NO)CC1
InChIInChI=1S/C9H19N3O2/c1-7(13)5-11-6-9(2-3-9)4-8(10)12-14/h7,11,13-14H,2-6H2,1H3,(H2,10,12)
InChIKeyNNWXPQOCLVMZKT-UHFFFAOYSA-N
MW201.27 g/mol
LogP-0.13
Rot. Bonds6

About N'-hydroxy-2-[1-[(2-hydroxypropylamino)methyl]cyclopropyl]ethanimidamide

N'-hydroxy-2-[1-[(2-hydroxypropylamino)methyl]cyclopropyl]ethanimidamide (PubChem CID 77070652) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is N'-hydroxy-2-[1-[(2-hydroxypropylamino)methyl]cyclopropyl]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[1-[(2-hydroxypropylamino)methyl]cyclopropyl]ethanimidamide
PubChem CID77070652
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC NameN'-hydroxy-2-[1-[(2-hydroxypropylamino)methyl]cyclopropyl]ethanimidamide
SMILESCC(O)CNCC1(CC(N)=NO)CC1
InChIInChI=1S/C9H19N3O2/c1-7(13)5-11-6-9(2-3-9)4-8(10)12-14/h7,11,13-14H,2-6H2,1H3,(H2,10,12)
InChIKeyNNWXPQOCLVMZKT-UHFFFAOYSA-N
XLogP-0.13
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
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': '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-[1-[(2-hydroxypropylamino)methyl]cyclopropyl]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[1-[(2-hydroxypropylamino)methyl]cyclopropyl]ethanimidamide (CID 77070652) is N'-hydroxy-2-[1-[(2-hydroxypropylamino)methyl]cyclopropyl]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[1-[(2-hydroxypropylamino)methyl]cyclopropyl]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[1-[(2-hydroxypropylamino)methyl]cyclopropyl]ethanimidamide is CC(O)CNCC1(CC(N)=NO)CC1.
What is the InChIKey of N'-hydroxy-2-[1-[(2-hydroxypropylamino)methyl]cyclopropyl]ethanimidamide?
The InChIKey is NNWXPQOCLVMZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-7(13)5-11-6-9(2-3-9)4-8(10)12-14/h7,11,13-14H,2-6H2,1H3,(H2,10,12).
What are the key properties of N'-hydroxy-2-[1-[(2-hydroxypropylamino)methyl]cyclopropyl]ethanimidamide?
N'-hydroxy-2-[1-[(2-hydroxypropylamino)methyl]cyclopropyl]ethanimidamide has a molecular weight of 201.27 g/mol, XLogP of -0.13, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[1-[(2-hydroxypropylamino)methyl]cyclopropyl]ethanimidamide is sourced from PubChem (CID 77070652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).