3-[(3-ethylcyclohexyl)amino]-N'-hydroxypentanimidamide

C13H27N3O — CID 64747644

IUPAC3-[(3-ethylcyclohexyl)amino]-N'-hydroxypentanimidamide
SMILESCCC1CCCC(NC(CC)C/C(N)=N/O)C1
InChIInChI=1S/C13H27N3O/c1-3-10-6-5-7-12(8-10)15-11(4-2)9-13(14)16-17/h10-12,15,17H,3-9H2,1-2H3,(H2,14,16)
InChIKeyYOYPUUSCBMLAPY-UHFFFAOYSA-N
MW241.38 g/mol
LogP2.46
Rot. Bonds6

About 3-[(3-ethylcyclohexyl)amino]-N'-hydroxypentanimidamide

3-[(3-ethylcyclohexyl)amino]-N'-hydroxypentanimidamide (PubChem CID 64747644) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 3-[(3-ethylcyclohexyl)amino]-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name3-[(3-ethylcyclohexyl)amino]-N'-hydroxypentanimidamide
PubChem CID64747644
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name3-[(3-ethylcyclohexyl)amino]-N'-hydroxypentanimidamide
SMILESCCC1CCCC(NC(CC)C/C(N)=N/O)C1
InChIInChI=1S/C13H27N3O/c1-3-10-6-5-7-12(8-10)15-11(4-2)9-13(14)16-17/h10-12,15,17H,3-9H2,1-2H3,(H2,14,16)
InChIKeyYOYPUUSCBMLAPY-UHFFFAOYSA-N
XLogP2.46
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 52.46
H-Bond Donors ≤ 53
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 3-[(3-ethylcyclohexyl)amino]-N'-hydroxypentanimidamide?
The IUPAC name of 3-[(3-ethylcyclohexyl)amino]-N'-hydroxypentanimidamide (CID 64747644) is 3-[(3-ethylcyclohexyl)amino]-N'-hydroxypentanimidamide.
What is the SMILES notation for 3-[(3-ethylcyclohexyl)amino]-N'-hydroxypentanimidamide?
The canonical SMILES for 3-[(3-ethylcyclohexyl)amino]-N'-hydroxypentanimidamide is CCC1CCCC(NC(CC)C/C(N)=N/O)C1.
What is the InChIKey of 3-[(3-ethylcyclohexyl)amino]-N'-hydroxypentanimidamide?
The InChIKey is YOYPUUSCBMLAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-3-10-6-5-7-12(8-10)15-11(4-2)9-13(14)16-17/h10-12,15,17H,3-9H2,1-2H3,(H2,14,16).
What are the key properties of 3-[(3-ethylcyclohexyl)amino]-N'-hydroxypentanimidamide?
3-[(3-ethylcyclohexyl)amino]-N'-hydroxypentanimidamide has a molecular weight of 241.38 g/mol, XLogP of 2.46, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethylcyclohexyl)amino]-N'-hydroxypentanimidamide is sourced from PubChem (CID 64747644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).