3-[(3-ethyl-2-methylcyclopentyl)amino]-N'-hydroxypentanimidamide

C13H27N3O — CID 77050586

IUPAC3-[(3-ethyl-2-methylcyclopentyl)amino]-N'-hydroxypentanimidamide
SMILESCCC(CC(N)=NO)NC1CCC(CC)C1C
InChIInChI=1S/C13H27N3O/c1-4-10-6-7-12(9(10)3)15-11(5-2)8-13(14)16-17/h9-12,15,17H,4-8H2,1-3H3,(H2,14,16)
InChIKeyWNYNTYDUQRLQIX-UHFFFAOYSA-N
MW241.38 g/mol
LogP2.32
Rot. Bonds6

About 3-[(3-ethyl-2-methylcyclopentyl)amino]-N'-hydroxypentanimidamide

3-[(3-ethyl-2-methylcyclopentyl)amino]-N'-hydroxypentanimidamide (PubChem CID 77050586) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 3-[(3-ethyl-2-methylcyclopentyl)amino]-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name3-[(3-ethyl-2-methylcyclopentyl)amino]-N'-hydroxypentanimidamide
PubChem CID77050586
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name3-[(3-ethyl-2-methylcyclopentyl)amino]-N'-hydroxypentanimidamide
SMILESCCC(CC(N)=NO)NC1CCC(CC)C1C
InChIInChI=1S/C13H27N3O/c1-4-10-6-7-12(9(10)3)15-11(5-2)8-13(14)16-17/h9-12,15,17H,4-8H2,1-3H3,(H2,14,16)
InChIKeyWNYNTYDUQRLQIX-UHFFFAOYSA-N
XLogP2.32
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 ≤ 52.32
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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Related Compounds

3,3,3-trifluoro-N'-hydroxy-2-[[(2-methylcyclopentyl)amino]methyl]propanimidamide
CID 103369715
2-[(1-cyclopentylethylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369728
2-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369899
2-[[[(1S)-1-cyclopentylethyl]amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103370056
3,3,3-trifluoro-N'-hydroxy-2-[[(2-methylcyclopentyl)methylamino]methyl]propanimidamide
CID 107418886
2-[[(2,3-dimethylcyclopentyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 113808024
2-[[[(1R)-1-cyclopentylethyl]amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 113808040
3,3,3-trifluoro-N'-hydroxy-2-[[(3-methylcyclopentyl)amino]methyl]propanimidamide
CID 113808081
5-[(1-Cyclopentylethyl)amino]-N-hydroxypentanimidamide
CID 64331554
3-(2-cyclohexylethylamino)-N'-hydroxypentanimidamide
CID 64332527
N'-hydroxy-3-[(4-propylcyclohexyl)amino]pentanimidamide
CID 64337041
3-[(3-ethylcyclohexyl)amino]-N'-hydroxypentanimidamide
CID 64747644

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethyl-2-methylcyclopentyl)amino]-N'-hydroxypentanimidamide?
The IUPAC name of 3-[(3-ethyl-2-methylcyclopentyl)amino]-N'-hydroxypentanimidamide (CID 77050586) is 3-[(3-ethyl-2-methylcyclopentyl)amino]-N'-hydroxypentanimidamide.
What is the SMILES notation for 3-[(3-ethyl-2-methylcyclopentyl)amino]-N'-hydroxypentanimidamide?
The canonical SMILES for 3-[(3-ethyl-2-methylcyclopentyl)amino]-N'-hydroxypentanimidamide is CCC(CC(N)=NO)NC1CCC(CC)C1C.
What is the InChIKey of 3-[(3-ethyl-2-methylcyclopentyl)amino]-N'-hydroxypentanimidamide?
The InChIKey is WNYNTYDUQRLQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-4-10-6-7-12(9(10)3)15-11(5-2)8-13(14)16-17/h9-12,15,17H,4-8H2,1-3H3,(H2,14,16).
What are the key properties of 3-[(3-ethyl-2-methylcyclopentyl)amino]-N'-hydroxypentanimidamide?
3-[(3-ethyl-2-methylcyclopentyl)amino]-N'-hydroxypentanimidamide has a molecular weight of 241.38 g/mol, XLogP of 2.32, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethyl-2-methylcyclopentyl)amino]-N'-hydroxypentanimidamide is sourced from PubChem (CID 77050586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).