N'-hydroxy-2-[1-[[2-hydroxyethyl(propyl)amino]methyl]cyclopropyl]ethanimidamide

C11H23N3O2 — CID 77071643

IUPACN'-hydroxy-2-[1-[[2-hydroxyethyl(propyl)amino]methyl]cyclopropyl]ethanimidamide
SMILESCCCN(CCO)CC1(CC(N)=NO)CC1
InChIInChI=1S/C11H23N3O2/c1-2-5-14(6-7-15)9-11(3-4-11)8-10(12)13-16/h15-16H,2-9H2,1H3,(H2,12,13)
InChIKeyXHAXIHABCMWKSL-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.61
Rot. Bonds8

About N'-hydroxy-2-[1-[[2-hydroxyethyl(propyl)amino]methyl]cyclopropyl]ethanimidamide

N'-hydroxy-2-[1-[[2-hydroxyethyl(propyl)amino]methyl]cyclopropyl]ethanimidamide (PubChem CID 77071643) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is N'-hydroxy-2-[1-[[2-hydroxyethyl(propyl)amino]methyl]cyclopropyl]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[1-[[2-hydroxyethyl(propyl)amino]methyl]cyclopropyl]ethanimidamide
PubChem CID77071643
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC NameN'-hydroxy-2-[1-[[2-hydroxyethyl(propyl)amino]methyl]cyclopropyl]ethanimidamide
SMILESCCCN(CCO)CC1(CC(N)=NO)CC1
InChIInChI=1S/C11H23N3O2/c1-2-5-14(6-7-15)9-11(3-4-11)8-10(12)13-16/h15-16H,2-9H2,1H3,(H2,12,13)
InChIKeyXHAXIHABCMWKSL-UHFFFAOYSA-N
XLogP0.61
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.61
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'}

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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[1-[[2-hydroxyethyl(propyl)amino]methyl]cyclopropyl]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[1-[[2-hydroxyethyl(propyl)amino]methyl]cyclopropyl]ethanimidamide (CID 77071643) is N'-hydroxy-2-[1-[[2-hydroxyethyl(propyl)amino]methyl]cyclopropyl]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[1-[[2-hydroxyethyl(propyl)amino]methyl]cyclopropyl]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[1-[[2-hydroxyethyl(propyl)amino]methyl]cyclopropyl]ethanimidamide is CCCN(CCO)CC1(CC(N)=NO)CC1.
What is the InChIKey of N'-hydroxy-2-[1-[[2-hydroxyethyl(propyl)amino]methyl]cyclopropyl]ethanimidamide?
The InChIKey is XHAXIHABCMWKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-2-5-14(6-7-15)9-11(3-4-11)8-10(12)13-16/h15-16H,2-9H2,1H3,(H2,12,13).
What are the key properties of N'-hydroxy-2-[1-[[2-hydroxyethyl(propyl)amino]methyl]cyclopropyl]ethanimidamide?
N'-hydroxy-2-[1-[[2-hydroxyethyl(propyl)amino]methyl]cyclopropyl]ethanimidamide has a molecular weight of 229.32 g/mol, XLogP of 0.61, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[1-[[2-hydroxyethyl(propyl)amino]methyl]cyclopropyl]ethanimidamide is sourced from PubChem (CID 77071643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).