2-[1-[[(2-ethyl-2-hydroxybutyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide

C12H25N3O2 — CID 77070623

IUPAC2-[1-[[(2-ethyl-2-hydroxybutyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
SMILESCCC(O)(CC)CNCC1(CC(N)=NO)CC1
InChIInChI=1S/C12H25N3O2/c1-3-12(16,4-2)9-14-8-11(5-6-11)7-10(13)15-17/h14,16-17H,3-9H2,1-2H3,(H2,13,15)
InChIKeyVLCYGGMQCYPUDQ-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.04
Rot. Bonds8

About 2-[1-[[(2-ethyl-2-hydroxybutyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide

2-[1-[[(2-ethyl-2-hydroxybutyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide (PubChem CID 77070623) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-[1-[[(2-ethyl-2-hydroxybutyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[1-[[(2-ethyl-2-hydroxybutyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
PubChem CID77070623
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name2-[1-[[(2-ethyl-2-hydroxybutyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
SMILESCCC(O)(CC)CNCC1(CC(N)=NO)CC1
InChIInChI=1S/C12H25N3O2/c1-3-12(16,4-2)9-14-8-11(5-6-11)7-10(13)15-17/h14,16-17H,3-9H2,1-2H3,(H2,13,15)
InChIKeyVLCYGGMQCYPUDQ-UHFFFAOYSA-N
XLogP1.04
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.04
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 2-[1-[[(2-ethyl-2-hydroxybutyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[1-[[(2-ethyl-2-hydroxybutyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide (CID 77070623) is 2-[1-[[(2-ethyl-2-hydroxybutyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[1-[[(2-ethyl-2-hydroxybutyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[1-[[(2-ethyl-2-hydroxybutyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide is CCC(O)(CC)CNCC1(CC(N)=NO)CC1.
What is the InChIKey of 2-[1-[[(2-ethyl-2-hydroxybutyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide?
The InChIKey is VLCYGGMQCYPUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-3-12(16,4-2)9-14-8-11(5-6-11)7-10(13)15-17/h14,16-17H,3-9H2,1-2H3,(H2,13,15).
What are the key properties of 2-[1-[[(2-ethyl-2-hydroxybutyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide?
2-[1-[[(2-ethyl-2-hydroxybutyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide has a molecular weight of 243.35 g/mol, XLogP of 1.04, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(2-ethyl-2-hydroxybutyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide is sourced from PubChem (CID 77070623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).