2-(1-cyclopentylethylamino)-N'-hydroxyethanimidamide

C9H19N3O — CID 77029717

IUPAC2-(1-cyclopentylethylamino)-N'-hydroxyethanimidamide
SMILESCC(NCC(N)=NO)C1CCCC1
InChIInChI=1S/C9H19N3O/c1-7(8-4-2-3-5-8)11-6-9(10)12-13/h7-8,11,13H,2-6H2,1H3,(H2,10,12)
InChIKeyDPUPOKVETLAAAE-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.90
Rot. Bonds4

About 2-(1-cyclopentylethylamino)-N'-hydroxyethanimidamide

2-(1-cyclopentylethylamino)-N'-hydroxyethanimidamide (PubChem CID 77029717) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-(1-cyclopentylethylamino)-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-(1-cyclopentylethylamino)-N'-hydroxyethanimidamide
PubChem CID77029717
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name2-(1-cyclopentylethylamino)-N'-hydroxyethanimidamide
SMILESCC(NCC(N)=NO)C1CCCC1
InChIInChI=1S/C9H19N3O/c1-7(8-4-2-3-5-8)11-6-9(10)12-13/h7-8,11,13H,2-6H2,1H3,(H2,10,12)
InChIKeyDPUPOKVETLAAAE-UHFFFAOYSA-N
XLogP0.90
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.90
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

N'-hydroxy-2-[1-(oxolan-3-yl)ethylamino]ethanimidamide
CID 104876942
5-[[(1R)-1-cycloheptylethyl]amino]-N'-hydroxypentanimidamide
CID 81392075
2-[[(1R)-1-cycloheptylethyl]amino]acetamide
CID 81392535
3-[[(1R)-1-cyclopentylethyl]amino]-N'-hydroxy-2-methylpropanimidamide
CID 81390297
N-carbamoyl-2-[[(1R)-1-cycloheptylethyl]amino]acetamide
CID 81393673
3-[[(1S)-1-cyclohexylethyl]amino]-N'-hydroxybutanimidamide
CID 81386366
3-[[(1S)-1-cycloheptylethyl]amino]-N'-hydroxy-2-methylpropanimidamide
CID 81391679
2-chloro-N-[(1S)-1-cyclopentylethyl]prop-2-en-1-amine
CID 81394329
2-[[[(1R)-1-cycloheptylethyl]amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103370058
2-[[[(1S)-1-cyclohexylethyl]amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103370054
methyl 2-[[(1S)-1-cyclopentylethyl]amino]acetate
CID 81395951
2-bromo-N-[(1S)-1-cycloheptylethyl]prop-2-en-1-amine
CID 81392005

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentylethylamino)-N'-hydroxyethanimidamide?
The IUPAC name of 2-(1-cyclopentylethylamino)-N'-hydroxyethanimidamide (CID 77029717) is 2-(1-cyclopentylethylamino)-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-(1-cyclopentylethylamino)-N'-hydroxyethanimidamide?
The canonical SMILES for 2-(1-cyclopentylethylamino)-N'-hydroxyethanimidamide is CC(NCC(N)=NO)C1CCCC1.
What is the InChIKey of 2-(1-cyclopentylethylamino)-N'-hydroxyethanimidamide?
The InChIKey is DPUPOKVETLAAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-7(8-4-2-3-5-8)11-6-9(10)12-13/h7-8,11,13H,2-6H2,1H3,(H2,10,12).
What are the key properties of 2-(1-cyclopentylethylamino)-N'-hydroxyethanimidamide?
2-(1-cyclopentylethylamino)-N'-hydroxyethanimidamide has a molecular weight of 185.27 g/mol, XLogP of 0.90, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopentylethylamino)-N'-hydroxyethanimidamide is sourced from PubChem (CID 77029717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).