N-(aminomethylidene)cyclohexa-2,4-diene-1-carboximidamide

C8H11N3 — CID 176522660

IUPACN-(aminomethylidene)cyclohexa-2,4-diene-1-carboximidamide
SMILES[H]/N=C(\N=C\N)C1C=CC=CC1
InChIInChI=1S/C8H11N3/c9-6-11-8(10)7-4-2-1-3-5-7/h1-4,6-7H,5H2,(H3,9,10,11)
InChIKeyHSJXJTNLPKKEIG-UHFFFAOYSA-N
MW149.20 g/mol
LogP1.08
Rot. Bonds1

About N-(aminomethylidene)cyclohexa-2,4-diene-1-carboximidamide

N-(aminomethylidene)cyclohexa-2,4-diene-1-carboximidamide (PubChem CID 176522660) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is N-(aminomethylidene)cyclohexa-2,4-diene-1-carboximidamide.

Molecular Properties

Compound NameN-(aminomethylidene)cyclohexa-2,4-diene-1-carboximidamide
PubChem CID176522660
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC NameN-(aminomethylidene)cyclohexa-2,4-diene-1-carboximidamide
SMILES[H]/N=C(\N=C\N)C1C=CC=CC1
InChIInChI=1S/C8H11N3/c9-6-11-8(10)7-4-2-1-3-5-7/h1-4,6-7H,5H2,(H3,9,10,11)
InChIKeyHSJXJTNLPKKEIG-UHFFFAOYSA-N
XLogP1.08
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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

N-methylidenecyclohexa-2,4-diene-1-carboximidamide
CID 134198615
2-cyclohexa-2,4-dien-1-yl-4H-imidazole
CID 144560923
3-Imino-3a,7a-dihydroisoindol-1-amine
CID 169987296
8aH-isoquinolin-1-imine
CID 76844481
N'-methylcyclohexa-2,4-diene-1-carboximidamide
CID 144989754

Frequently Asked Questions

What is the IUPAC name of N-(aminomethylidene)cyclohexa-2,4-diene-1-carboximidamide?
The IUPAC name of N-(aminomethylidene)cyclohexa-2,4-diene-1-carboximidamide (CID 176522660) is N-(aminomethylidene)cyclohexa-2,4-diene-1-carboximidamide.
What is the SMILES notation for N-(aminomethylidene)cyclohexa-2,4-diene-1-carboximidamide?
The canonical SMILES for N-(aminomethylidene)cyclohexa-2,4-diene-1-carboximidamide is [H]/N=C(\N=C\N)C1C=CC=CC1.
What is the InChIKey of N-(aminomethylidene)cyclohexa-2,4-diene-1-carboximidamide?
The InChIKey is HSJXJTNLPKKEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3/c9-6-11-8(10)7-4-2-1-3-5-7/h1-4,6-7H,5H2,(H3,9,10,11).
What are the key properties of N-(aminomethylidene)cyclohexa-2,4-diene-1-carboximidamide?
N-(aminomethylidene)cyclohexa-2,4-diene-1-carboximidamide has a molecular weight of 149.20 g/mol, XLogP of 1.08, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(aminomethylidene)cyclohexa-2,4-diene-1-carboximidamide is sourced from PubChem (CID 176522660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).