N'-hydroxy-2-[1-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]cyclopropyl]ethanimidamide

C12H24N4O2 — CID 77071747

IUPACN'-hydroxy-2-[1-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]cyclopropyl]ethanimidamide
SMILESNC(CC1(CN2CCN(CCO)CC2)CC1)=NO
InChIInChI=1S/C12H24N4O2/c13-11(14-18)9-12(1-2-12)10-16-5-3-15(4-6-16)7-8-17/h17-18H,1-10H2,(H2,13,14)
InChIKeyJXOOITANGGDZHQ-UHFFFAOYSA-N
MW256.35 g/mol
LogP-0.49
Rot. Bonds6

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

N'-hydroxy-2-[1-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]cyclopropyl]ethanimidamide (PubChem CID 77071747) has the molecular formula C12H24N4O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is N'-hydroxy-2-[1-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]cyclopropyl]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[1-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]cyclopropyl]ethanimidamide
PubChem CID77071747
Molecular FormulaC12H24N4O2
Molecular Weight256.35 g/mol
Exact Mass256.19
IUPAC NameN'-hydroxy-2-[1-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]cyclopropyl]ethanimidamide
SMILESNC(CC1(CN2CCN(CCO)CC2)CC1)=NO
InChIInChI=1S/C12H24N4O2/c13-11(14-18)9-12(1-2-12)10-16-5-3-15(4-6-16)7-8-17/h17-18H,1-10H2,(H2,13,14)
InChIKeyJXOOITANGGDZHQ-UHFFFAOYSA-N
XLogP-0.49
TPSA85.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 5-0.49
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-(2-hydroxyethyl)piperazin-1-yl]methyl]cyclopropyl]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[1-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]cyclopropyl]ethanimidamide (CID 77071747) is N'-hydroxy-2-[1-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]cyclopropyl]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[1-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]cyclopropyl]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[1-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]cyclopropyl]ethanimidamide is NC(CC1(CN2CCN(CCO)CC2)CC1)=NO.
What is the InChIKey of N'-hydroxy-2-[1-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]cyclopropyl]ethanimidamide?
The InChIKey is JXOOITANGGDZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2/c13-11(14-18)9-12(1-2-12)10-16-5-3-15(4-6-16)7-8-17/h17-18H,1-10H2,(H2,13,14).
What are the key properties of N'-hydroxy-2-[1-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]cyclopropyl]ethanimidamide?
N'-hydroxy-2-[1-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]cyclopropyl]ethanimidamide has a molecular weight of 256.35 g/mol, XLogP of -0.49, 6 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-(2-hydroxyethyl)piperazin-1-yl]methyl]cyclopropyl]ethanimidamide is sourced from PubChem (CID 77071747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).