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

C8H16N2O — CID 131036177

IUPACN'-[(1-hydroxycyclopentyl)methyl]ethanimidamide
SMILESC/C(N)=N\CC1(O)CCCC1
InChIInChI=1S/C8H16N2O/c1-7(9)10-6-8(11)4-2-3-5-8/h11H,2-6H2,1H3,(H2,9,10)
InChIKeyNIQNGRDZGQMUHO-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.67
Rot. Bonds2

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

N'-[(1-hydroxycyclopentyl)methyl]ethanimidamide (PubChem CID 131036177) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is N'-[(1-hydroxycyclopentyl)methyl]ethanimidamide.

Molecular Properties

Compound NameN'-[(1-hydroxycyclopentyl)methyl]ethanimidamide
PubChem CID131036177
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC NameN'-[(1-hydroxycyclopentyl)methyl]ethanimidamide
SMILESC/C(N)=N\CC1(O)CCCC1
InChIInChI=1S/C8H16N2O/c1-7(9)10-6-8(11)4-2-3-5-8/h11H,2-6H2,1H3,(H2,9,10)
InChIKeyNIQNGRDZGQMUHO-UHFFFAOYSA-N
XLogP0.67
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.67
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'}

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Related Compounds

1-hydroxy-N'-methylcyclopentane-1-carboximidamide
CID 57780656
2-[(1-Hydroxycyclopentyl)methyl]guanidine
CID 62407845
1-(Diaminomethylidene)-2-[(1-hydroxycyclopentyl)methyl]guanidine
CID 83036987
N'-[(1-methoxycyclopentyl)methyl]ethanimidamide
CID 130626057
N'-[(1-hydroxycyclopentyl)methyl]ethanimidamide;hydroiodide
CID 131036176
N'-(2-ethyl-2-hydroxybutyl)ethanimidamide
CID 131224250

Frequently Asked Questions

What is the IUPAC name of N'-[(1-hydroxycyclopentyl)methyl]ethanimidamide?
The IUPAC name of N'-[(1-hydroxycyclopentyl)methyl]ethanimidamide (CID 131036177) is N'-[(1-hydroxycyclopentyl)methyl]ethanimidamide.
What is the SMILES notation for N'-[(1-hydroxycyclopentyl)methyl]ethanimidamide?
The canonical SMILES for N'-[(1-hydroxycyclopentyl)methyl]ethanimidamide is C/C(N)=N\CC1(O)CCCC1.
What is the InChIKey of N'-[(1-hydroxycyclopentyl)methyl]ethanimidamide?
The InChIKey is NIQNGRDZGQMUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-7(9)10-6-8(11)4-2-3-5-8/h11H,2-6H2,1H3,(H2,9,10).
What are the key properties of N'-[(1-hydroxycyclopentyl)methyl]ethanimidamide?
N'-[(1-hydroxycyclopentyl)methyl]ethanimidamide has a molecular weight of 156.23 g/mol, XLogP of 0.67, 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 is sourced from PubChem (CID 131036177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).