6-methanimidoylcyclohexa-1,5-diene-1,3-diamine

C7H11N3 — CID 135191478

IUPAC6-methanimidoylcyclohexa-1,5-diene-1,3-diamine
SMILES[H]/N=C/C1=CCC(N)C=C1N
InChIInChI=1S/C7H11N3/c8-4-5-1-2-6(9)3-7(5)10/h1,3-4,6,8H,2,9-10H2/b8-4+
InChIKeyMPACMBKNXMRBQJ-XBXARRHUSA-N
MW137.19 g/mol
LogP0.14
Rot. Bonds1

About 6-methanimidoylcyclohexa-1,5-diene-1,3-diamine

6-methanimidoylcyclohexa-1,5-diene-1,3-diamine (PubChem CID 135191478) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is 6-methanimidoylcyclohexa-1,5-diene-1,3-diamine.

Molecular Properties

Compound Name6-methanimidoylcyclohexa-1,5-diene-1,3-diamine
PubChem CID135191478
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name6-methanimidoylcyclohexa-1,5-diene-1,3-diamine
SMILES[H]/N=C/C1=CCC(N)C=C1N
InChIInChI=1S/C7H11N3/c8-4-5-1-2-6(9)3-7(5)10/h1,3-4,6,8H,2,9-10H2/b8-4+
InChIKeyMPACMBKNXMRBQJ-XBXARRHUSA-N
XLogP0.14
TPSA75.89 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methanimidoylcyclohexa-1,5-diene-1,3-diamine?
The IUPAC name of 6-methanimidoylcyclohexa-1,5-diene-1,3-diamine (CID 135191478) is 6-methanimidoylcyclohexa-1,5-diene-1,3-diamine.
What is the SMILES notation for 6-methanimidoylcyclohexa-1,5-diene-1,3-diamine?
The canonical SMILES for 6-methanimidoylcyclohexa-1,5-diene-1,3-diamine is [H]/N=C/C1=CCC(N)C=C1N.
What is the InChIKey of 6-methanimidoylcyclohexa-1,5-diene-1,3-diamine?
The InChIKey is MPACMBKNXMRBQJ-XBXARRHUSA-N. The full InChI is InChI=1S/C7H11N3/c8-4-5-1-2-6(9)3-7(5)10/h1,3-4,6,8H,2,9-10H2/b8-4+.
What are the key properties of 6-methanimidoylcyclohexa-1,5-diene-1,3-diamine?
6-methanimidoylcyclohexa-1,5-diene-1,3-diamine has a molecular weight of 137.19 g/mol, XLogP of 0.14, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methanimidoylcyclohexa-1,5-diene-1,3-diamine is sourced from PubChem (CID 135191478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).