N'-hydroxy-2-[(1-hydroxycyclohexyl)methylamino]butanimidamide

C11H23N3O2 — CID 77056350

IUPACN'-hydroxy-2-[(1-hydroxycyclohexyl)methylamino]butanimidamide
SMILESCCC(NCC1(O)CCCCC1)C(N)=NO
InChIInChI=1S/C11H23N3O2/c1-2-9(10(12)14-16)13-8-11(15)6-4-3-5-7-11/h9,13,15-16H,2-8H2,1H3,(H2,12,14)
InChIKeyLWZYJMIVIGVQFW-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.80
Rot. Bonds5

About N'-hydroxy-2-[(1-hydroxycyclohexyl)methylamino]butanimidamide

N'-hydroxy-2-[(1-hydroxycyclohexyl)methylamino]butanimidamide (PubChem CID 77056350) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is N'-hydroxy-2-[(1-hydroxycyclohexyl)methylamino]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[(1-hydroxycyclohexyl)methylamino]butanimidamide
PubChem CID77056350
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC NameN'-hydroxy-2-[(1-hydroxycyclohexyl)methylamino]butanimidamide
SMILESCCC(NCC1(O)CCCCC1)C(N)=NO
InChIInChI=1S/C11H23N3O2/c1-2-9(10(12)14-16)13-8-11(15)6-4-3-5-7-11/h9,13,15-16H,2-8H2,1H3,(H2,12,14)
InChIKeyLWZYJMIVIGVQFW-UHFFFAOYSA-N
XLogP0.80
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.80
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 N'-hydroxy-2-[(1-hydroxycyclohexyl)methylamino]butanimidamide?
The IUPAC name of N'-hydroxy-2-[(1-hydroxycyclohexyl)methylamino]butanimidamide (CID 77056350) is N'-hydroxy-2-[(1-hydroxycyclohexyl)methylamino]butanimidamide.
What is the SMILES notation for N'-hydroxy-2-[(1-hydroxycyclohexyl)methylamino]butanimidamide?
The canonical SMILES for N'-hydroxy-2-[(1-hydroxycyclohexyl)methylamino]butanimidamide is CCC(NCC1(O)CCCCC1)C(N)=NO.
What is the InChIKey of N'-hydroxy-2-[(1-hydroxycyclohexyl)methylamino]butanimidamide?
The InChIKey is LWZYJMIVIGVQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-2-9(10(12)14-16)13-8-11(15)6-4-3-5-7-11/h9,13,15-16H,2-8H2,1H3,(H2,12,14).
What are the key properties of N'-hydroxy-2-[(1-hydroxycyclohexyl)methylamino]butanimidamide?
N'-hydroxy-2-[(1-hydroxycyclohexyl)methylamino]butanimidamide has a molecular weight of 229.32 g/mol, XLogP of 0.80, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[(1-hydroxycyclohexyl)methylamino]butanimidamide is sourced from PubChem (CID 77056350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).