2-[(4-ethylcyclohexyl)-methylamino]-N'-hydroxybutanimidamide

C13H27N3O — CID 76915568

IUPAC2-[(4-ethylcyclohexyl)-methylamino]-N'-hydroxybutanimidamide
SMILESCCC1CCC(N(C)C(CC)C(N)=NO)CC1
InChIInChI=1S/C13H27N3O/c1-4-10-6-8-11(9-7-10)16(3)12(5-2)13(14)15-17/h10-12,17H,4-9H2,1-3H3,(H2,14,15)
InChIKeyMNGODYCDTZJLCG-UHFFFAOYSA-N
MW241.38 g/mol
LogP2.41
Rot. Bonds5

About 2-[(4-ethylcyclohexyl)-methylamino]-N'-hydroxybutanimidamide

2-[(4-ethylcyclohexyl)-methylamino]-N'-hydroxybutanimidamide (PubChem CID 76915568) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 2-[(4-ethylcyclohexyl)-methylamino]-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name2-[(4-ethylcyclohexyl)-methylamino]-N'-hydroxybutanimidamide
PubChem CID76915568
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name2-[(4-ethylcyclohexyl)-methylamino]-N'-hydroxybutanimidamide
SMILESCCC1CCC(N(C)C(CC)C(N)=NO)CC1
InChIInChI=1S/C13H27N3O/c1-4-10-6-8-11(9-7-10)16(3)12(5-2)13(14)15-17/h10-12,17H,4-9H2,1-3H3,(H2,14,15)
InChIKeyMNGODYCDTZJLCG-UHFFFAOYSA-N
XLogP2.41
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[(4-ethylcyclohexyl)-methylamino]-N'-hydroxybutanimidamide?
The IUPAC name of 2-[(4-ethylcyclohexyl)-methylamino]-N'-hydroxybutanimidamide (CID 76915568) is 2-[(4-ethylcyclohexyl)-methylamino]-N'-hydroxybutanimidamide.
What is the SMILES notation for 2-[(4-ethylcyclohexyl)-methylamino]-N'-hydroxybutanimidamide?
The canonical SMILES for 2-[(4-ethylcyclohexyl)-methylamino]-N'-hydroxybutanimidamide is CCC1CCC(N(C)C(CC)C(N)=NO)CC1.
What is the InChIKey of 2-[(4-ethylcyclohexyl)-methylamino]-N'-hydroxybutanimidamide?
The InChIKey is MNGODYCDTZJLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-4-10-6-8-11(9-7-10)16(3)12(5-2)13(14)15-17/h10-12,17H,4-9H2,1-3H3,(H2,14,15).
What are the key properties of 2-[(4-ethylcyclohexyl)-methylamino]-N'-hydroxybutanimidamide?
2-[(4-ethylcyclohexyl)-methylamino]-N'-hydroxybutanimidamide has a molecular weight of 241.38 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylcyclohexyl)-methylamino]-N'-hydroxybutanimidamide is sourced from PubChem (CID 76915568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).