N'-hydroxy-2-[1-[[(4-methylpiperazin-1-yl)amino]methyl]cyclopropyl]ethanimidamide

C11H23N5O — CID 83016415

IUPACN'-hydroxy-2-[1-[[(4-methylpiperazin-1-yl)amino]methyl]cyclopropyl]ethanimidamide
SMILESCN1CCN(NCC2(CC(N)=NO)CC2)CC1
InChIInChI=1S/C11H23N5O/c1-15-4-6-16(7-5-15)13-9-11(2-3-11)8-10(12)14-17/h13,17H,2-9H2,1H3,(H2,12,14)
InChIKeyPOFKGEPIGDIZFO-UHFFFAOYSA-N
MW241.34 g/mol
LogP-0.34
Rot. Bonds5

About N'-hydroxy-2-[1-[[(4-methylpiperazin-1-yl)amino]methyl]cyclopropyl]ethanimidamide

N'-hydroxy-2-[1-[[(4-methylpiperazin-1-yl)amino]methyl]cyclopropyl]ethanimidamide (PubChem CID 83016415) has the molecular formula C11H23N5O and a molecular weight of 241.34 g/mol. Its IUPAC name is N'-hydroxy-2-[1-[[(4-methylpiperazin-1-yl)amino]methyl]cyclopropyl]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[1-[[(4-methylpiperazin-1-yl)amino]methyl]cyclopropyl]ethanimidamide
PubChem CID83016415
Molecular FormulaC11H23N5O
Molecular Weight241.34 g/mol
Exact Mass241.19
IUPAC NameN'-hydroxy-2-[1-[[(4-methylpiperazin-1-yl)amino]methyl]cyclopropyl]ethanimidamide
SMILESCN1CCN(NCC2(CC(N)=NO)CC2)CC1
InChIInChI=1S/C11H23N5O/c1-15-4-6-16(7-5-15)13-9-11(2-3-11)8-10(12)14-17/h13,17H,2-9H2,1H3,(H2,12,14)
InChIKeyPOFKGEPIGDIZFO-UHFFFAOYSA-N
XLogP-0.34
TPSA77.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-[[(4-methylpiperazin-1-yl)amino]methyl]cyclopropyl]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[1-[[(4-methylpiperazin-1-yl)amino]methyl]cyclopropyl]ethanimidamide (CID 83016415) is N'-hydroxy-2-[1-[[(4-methylpiperazin-1-yl)amino]methyl]cyclopropyl]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[1-[[(4-methylpiperazin-1-yl)amino]methyl]cyclopropyl]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[1-[[(4-methylpiperazin-1-yl)amino]methyl]cyclopropyl]ethanimidamide is CN1CCN(NCC2(CC(N)=NO)CC2)CC1.
What is the InChIKey of N'-hydroxy-2-[1-[[(4-methylpiperazin-1-yl)amino]methyl]cyclopropyl]ethanimidamide?
The InChIKey is POFKGEPIGDIZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N5O/c1-15-4-6-16(7-5-15)13-9-11(2-3-11)8-10(12)14-17/h13,17H,2-9H2,1H3,(H2,12,14).
What are the key properties of N'-hydroxy-2-[1-[[(4-methylpiperazin-1-yl)amino]methyl]cyclopropyl]ethanimidamide?
N'-hydroxy-2-[1-[[(4-methylpiperazin-1-yl)amino]methyl]cyclopropyl]ethanimidamide has a molecular weight of 241.34 g/mol, XLogP of -0.34, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[1-[[(4-methylpiperazin-1-yl)amino]methyl]cyclopropyl]ethanimidamide is sourced from PubChem (CID 83016415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).