N'-hydroxy-2-[1-[[2-(3-methylbutoxy)ethylamino]methyl]cyclopropyl]ethanimidamide

C13H27N3O2 — CID 77070720

IUPACN'-hydroxy-2-[1-[[2-(3-methylbutoxy)ethylamino]methyl]cyclopropyl]ethanimidamide
SMILESCC(C)CCOCCNCC1(CC(N)=NO)CC1
InChIInChI=1S/C13H27N3O2/c1-11(2)3-7-18-8-6-15-10-13(4-5-13)9-12(14)16-17/h11,15,17H,3-10H2,1-2H3,(H2,14,16)
InChIKeySYWITJSKZDOLEB-UHFFFAOYSA-N
MW257.38 g/mol
LogP1.56
Rot. Bonds10

About N'-hydroxy-2-[1-[[2-(3-methylbutoxy)ethylamino]methyl]cyclopropyl]ethanimidamide

N'-hydroxy-2-[1-[[2-(3-methylbutoxy)ethylamino]methyl]cyclopropyl]ethanimidamide (PubChem CID 77070720) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is N'-hydroxy-2-[1-[[2-(3-methylbutoxy)ethylamino]methyl]cyclopropyl]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[1-[[2-(3-methylbutoxy)ethylamino]methyl]cyclopropyl]ethanimidamide
PubChem CID77070720
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC NameN'-hydroxy-2-[1-[[2-(3-methylbutoxy)ethylamino]methyl]cyclopropyl]ethanimidamide
SMILESCC(C)CCOCCNCC1(CC(N)=NO)CC1
InChIInChI=1S/C13H27N3O2/c1-11(2)3-7-18-8-6-15-10-13(4-5-13)9-12(14)16-17/h11,15,17H,3-10H2,1-2H3,(H2,14,16)
InChIKeySYWITJSKZDOLEB-UHFFFAOYSA-N
XLogP1.56
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(3-methylbutoxy)ethylamino]methyl]cyclopropyl]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[1-[[2-(3-methylbutoxy)ethylamino]methyl]cyclopropyl]ethanimidamide (CID 77070720) is N'-hydroxy-2-[1-[[2-(3-methylbutoxy)ethylamino]methyl]cyclopropyl]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[1-[[2-(3-methylbutoxy)ethylamino]methyl]cyclopropyl]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[1-[[2-(3-methylbutoxy)ethylamino]methyl]cyclopropyl]ethanimidamide is CC(C)CCOCCNCC1(CC(N)=NO)CC1.
What is the InChIKey of N'-hydroxy-2-[1-[[2-(3-methylbutoxy)ethylamino]methyl]cyclopropyl]ethanimidamide?
The InChIKey is SYWITJSKZDOLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-11(2)3-7-18-8-6-15-10-13(4-5-13)9-12(14)16-17/h11,15,17H,3-10H2,1-2H3,(H2,14,16).
What are the key properties of N'-hydroxy-2-[1-[[2-(3-methylbutoxy)ethylamino]methyl]cyclopropyl]ethanimidamide?
N'-hydroxy-2-[1-[[2-(3-methylbutoxy)ethylamino]methyl]cyclopropyl]ethanimidamide has a molecular weight of 257.38 g/mol, XLogP of 1.56, 10 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-(3-methylbutoxy)ethylamino]methyl]cyclopropyl]ethanimidamide is sourced from PubChem (CID 77070720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).