N'-diazenyl-2-imino-2-(2-iminocyclopentyl)ethanimidamide

C7H12N6 — CID 137139753

IUPACN'-diazenyl-2-imino-2-(2-iminocyclopentyl)ethanimidamide
SMILES[H]/N=C(\C(N)=N/N=N/[H])C1CCC/C1=N\[H]
InChIInChI=1S/C7H12N6/c8-5-3-1-2-4(5)6(9)7(10)12-13-11/h4,8-9H,1-3H2,(H3,10,11,12)/b8-5+,9-6-
InChIKeyYMAXFEDXKQYPDT-OWNHSFIXSA-N
MW180.22 g/mol
LogP1.13
Rot. Bonds3

About N'-diazenyl-2-imino-2-(2-iminocyclopentyl)ethanimidamide

N'-diazenyl-2-imino-2-(2-iminocyclopentyl)ethanimidamide (PubChem CID 137139753) has the molecular formula C7H12N6 and a molecular weight of 180.22 g/mol. Its IUPAC name is N'-diazenyl-2-imino-2-(2-iminocyclopentyl)ethanimidamide.

Molecular Properties

Compound NameN'-diazenyl-2-imino-2-(2-iminocyclopentyl)ethanimidamide
PubChem CID137139753
Molecular FormulaC7H12N6
Molecular Weight180.22 g/mol
Exact Mass180.11
IUPAC NameN'-diazenyl-2-imino-2-(2-iminocyclopentyl)ethanimidamide
SMILES[H]/N=C(\C(N)=N/N=N/[H])C1CCC/C1=N\[H]
InChIInChI=1S/C7H12N6/c8-5-3-1-2-4(5)6(9)7(10)12-13-11/h4,8-9H,1-3H2,(H3,10,11,12)/b8-5+,9-6-
InChIKeyYMAXFEDXKQYPDT-OWNHSFIXSA-N
XLogP1.13
TPSA122.29 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.22
LogP ≤ 51.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-benzyl-N-hydrazinylidene-2-imino-2-(2-iminocyclopentyl)ethanimidamide
CID 123211317
2-(2-aminocyclopenten-1-yl)-N'-diazenyl-2-iminoethanimidamide
CID 161486033
(1R)-2-iminocyclohexane-1-carboxylic acid
CID 86316627
2-iminocyclopentan-1-ol
CID 131743641
(3-amino-3-oxopropyl) (1R)-2-iminocyclopentane-1-carbodithioate
CID 6713629
ethyl 2-iminocyclohexane-1-carboxylate
CID 57207114
4-(2-iminocyclopentanecarboximidoyl)benzonitrile
CID 123457730
(2-iminocyclopentyl)methanamine
CID 91322509
2-iminocyclohexan-1-amine
CID 23599757
3-imino-2-methylpiperidine-1-carboximidamide;hydrochloride
CID 175361652
1,2,3,4-tetrahydronaphthalene-1-carboximidamide;hydrochloride
CID 71755662
bicyclo[4.2.0]octan-2-imine
CID 142909528

Frequently Asked Questions

What is the IUPAC name of N'-diazenyl-2-imino-2-(2-iminocyclopentyl)ethanimidamide?
The IUPAC name of N'-diazenyl-2-imino-2-(2-iminocyclopentyl)ethanimidamide (CID 137139753) is N'-diazenyl-2-imino-2-(2-iminocyclopentyl)ethanimidamide.
What is the SMILES notation for N'-diazenyl-2-imino-2-(2-iminocyclopentyl)ethanimidamide?
The canonical SMILES for N'-diazenyl-2-imino-2-(2-iminocyclopentyl)ethanimidamide is [H]/N=C(\C(N)=N/N=N/[H])C1CCC/C1=N\[H].
What is the InChIKey of N'-diazenyl-2-imino-2-(2-iminocyclopentyl)ethanimidamide?
The InChIKey is YMAXFEDXKQYPDT-OWNHSFIXSA-N. The full InChI is InChI=1S/C7H12N6/c8-5-3-1-2-4(5)6(9)7(10)12-13-11/h4,8-9H,1-3H2,(H3,10,11,12)/b8-5+,9-6-.
What are the key properties of N'-diazenyl-2-imino-2-(2-iminocyclopentyl)ethanimidamide?
N'-diazenyl-2-imino-2-(2-iminocyclopentyl)ethanimidamide has a molecular weight of 180.22 g/mol, XLogP of 1.13, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-diazenyl-2-imino-2-(2-iminocyclopentyl)ethanimidamide is sourced from PubChem (CID 137139753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).