N'-[(1-hydroxycyclopentyl)methyl]ethanimidamide;hydroiodide

C8H17IN2O — CID 131036176

IUPACN'-[(1-hydroxycyclopentyl)methyl]ethanimidamide;hydroiodide
SMILESC/C(N)=N\CC1(O)CCCC1.I
InChIInChI=1S/C8H16N2O.HI/c1-7(9)10-6-8(11)4-2-3-5-8;/h11H,2-6H2,1H3,(H2,9,10);1H
InChIKeyPLYDNTMQLKEALO-UHFFFAOYSA-N
MW284.14 g/mol
LogP1.29
Rot. Bonds2

About N'-[(1-hydroxycyclopentyl)methyl]ethanimidamide;hydroiodide

N'-[(1-hydroxycyclopentyl)methyl]ethanimidamide;hydroiodide (PubChem CID 131036176) has the molecular formula C8H17IN2O and a molecular weight of 284.14 g/mol. Its IUPAC name is N'-[(1-hydroxycyclopentyl)methyl]ethanimidamide;hydroiodide.

Molecular Properties

Compound NameN'-[(1-hydroxycyclopentyl)methyl]ethanimidamide;hydroiodide
PubChem CID131036176
Molecular FormulaC8H17IN2O
Molecular Weight284.14 g/mol
Exact Mass284.04
IUPAC NameN'-[(1-hydroxycyclopentyl)methyl]ethanimidamide;hydroiodide
SMILESC/C(N)=N\CC1(O)CCCC1.I
InChIInChI=1S/C8H16N2O.HI/c1-7(9)10-6-8(11)4-2-3-5-8;/h11H,2-6H2,1H3,(H2,9,10);1H
InChIKeyPLYDNTMQLKEALO-UHFFFAOYSA-N
XLogP1.29
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.14
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(1-hydroxycyclopentyl)methyl]ethanimidamide;hydroiodide?
The IUPAC name of N'-[(1-hydroxycyclopentyl)methyl]ethanimidamide;hydroiodide (CID 131036176) is N'-[(1-hydroxycyclopentyl)methyl]ethanimidamide;hydroiodide.
What is the SMILES notation for N'-[(1-hydroxycyclopentyl)methyl]ethanimidamide;hydroiodide?
The canonical SMILES for N'-[(1-hydroxycyclopentyl)methyl]ethanimidamide;hydroiodide is C/C(N)=N\CC1(O)CCCC1.I.
What is the InChIKey of N'-[(1-hydroxycyclopentyl)methyl]ethanimidamide;hydroiodide?
The InChIKey is PLYDNTMQLKEALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O.HI/c1-7(9)10-6-8(11)4-2-3-5-8;/h11H,2-6H2,1H3,(H2,9,10);1H.
What are the key properties of N'-[(1-hydroxycyclopentyl)methyl]ethanimidamide;hydroiodide?
N'-[(1-hydroxycyclopentyl)methyl]ethanimidamide;hydroiodide has a molecular weight of 284.14 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1-hydroxycyclopentyl)methyl]ethanimidamide;hydroiodide is sourced from PubChem (CID 131036176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).