N'-benzyl-N-hydrazinylidene-2-imino-2-(2-iminocyclopentyl)ethanimidamide

C14H18N6 — CID 123211317

IUPACN'-benzyl-N-hydrazinylidene-2-imino-2-(2-iminocyclopentyl)ethanimidamide
SMILES[H]/N=C(C(=N\Cc1ccccc1)\N=N\N)/C1CCC/C1=N\[H]
InChIInChI=1S/C14H18N6/c15-12-8-4-7-11(12)13(16)14(19-20-17)18-9-10-5-2-1-3-6-10/h1-3,5-6,11,15-16H,4,7-9H2,(H2,17,18,19)/b15-12+,16-13-
InChIKeyADXQIXHWJKWBMA-SWPSDAPNSA-N
MW270.34 g/mol
LogP2.75
Rot. Bonds4

About N'-benzyl-N-hydrazinylidene-2-imino-2-(2-iminocyclopentyl)ethanimidamide

N'-benzyl-N-hydrazinylidene-2-imino-2-(2-iminocyclopentyl)ethanimidamide (PubChem CID 123211317) has the molecular formula C14H18N6 and a molecular weight of 270.34 g/mol. Its IUPAC name is N'-benzyl-N-hydrazinylidene-2-imino-2-(2-iminocyclopentyl)ethanimidamide.

Molecular Properties

Compound NameN'-benzyl-N-hydrazinylidene-2-imino-2-(2-iminocyclopentyl)ethanimidamide
PubChem CID123211317
Molecular FormulaC14H18N6
Molecular Weight270.34 g/mol
Exact Mass270.16
IUPAC NameN'-benzyl-N-hydrazinylidene-2-imino-2-(2-iminocyclopentyl)ethanimidamide
SMILES[H]/N=C(C(=N\Cc1ccccc1)\N=N\N)/C1CCC/C1=N\[H]
InChIInChI=1S/C14H18N6/c15-12-8-4-7-11(12)13(16)14(19-20-17)18-9-10-5-2-1-3-6-10/h1-3,5-6,11,15-16H,4,7-9H2,(H2,17,18,19)/b15-12+,16-13-
InChIKeyADXQIXHWJKWBMA-SWPSDAPNSA-N
XLogP2.75
TPSA110.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.75
H-Bond Donors ≤ 53
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': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-diazenyl-2-imino-2-(2-iminocyclopentyl)ethanimidamide
CID 137139753
2-benzylimino-2-cyclopentylethanamine
CID 144840714
carbamimidoyl N'-benzylcarbamimidothioate;hydrochloride
CID 68882563
N-benzyl-N-diazenyl-2-oxo-2-(2-oxocyclopentyl)ethanimidamide
CID 59403637
2-benzylguanidine;bis(tricyclohexylphosphane)
CID 158132606
2-benzyl-1-[(1R)-1-cyclopentylethyl]guanidine
CID 130567942
1-(N-benzyl-C-cyclopentylcarbonimidoyl)cyclopropan-1-amine
CID 139541808
1-amino-2-benzyl-3-cyclopropylguanidine
CID 116511559
2-benzyl-1-carbamimidoyl-1-propylguanidine
CID 24839408
1,2,3,4-tetrahydronaphthalene-1-carboximidamide;hydrochloride
CID 71755662
2-iminocyclopentan-1-ol
CID 131743641
N'-benzyl-2-hydroxyethanimidamide
CID 90668671

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N-hydrazinylidene-2-imino-2-(2-iminocyclopentyl)ethanimidamide?
The IUPAC name of N'-benzyl-N-hydrazinylidene-2-imino-2-(2-iminocyclopentyl)ethanimidamide (CID 123211317) is N'-benzyl-N-hydrazinylidene-2-imino-2-(2-iminocyclopentyl)ethanimidamide.
What is the SMILES notation for N'-benzyl-N-hydrazinylidene-2-imino-2-(2-iminocyclopentyl)ethanimidamide?
The canonical SMILES for N'-benzyl-N-hydrazinylidene-2-imino-2-(2-iminocyclopentyl)ethanimidamide is [H]/N=C(C(=N\Cc1ccccc1)\N=N\N)/C1CCC/C1=N\[H].
What is the InChIKey of N'-benzyl-N-hydrazinylidene-2-imino-2-(2-iminocyclopentyl)ethanimidamide?
The InChIKey is ADXQIXHWJKWBMA-SWPSDAPNSA-N. The full InChI is InChI=1S/C14H18N6/c15-12-8-4-7-11(12)13(16)14(19-20-17)18-9-10-5-2-1-3-6-10/h1-3,5-6,11,15-16H,4,7-9H2,(H2,17,18,19)/b15-12+,16-13-.
What are the key properties of N'-benzyl-N-hydrazinylidene-2-imino-2-(2-iminocyclopentyl)ethanimidamide?
N'-benzyl-N-hydrazinylidene-2-imino-2-(2-iminocyclopentyl)ethanimidamide has a molecular weight of 270.34 g/mol, XLogP of 2.75, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N-hydrazinylidene-2-imino-2-(2-iminocyclopentyl)ethanimidamide is sourced from PubChem (CID 123211317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).