N-iodo-N-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine

C8H9IN2 — CID 155000429

IUPACN-iodo-N-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine
SMILESC=C1C=CC=C/C1=N/N(C)I
InChIInChI=1S/C8H9IN2/c1-7-5-3-4-6-8(7)10-11(2)9/h3-6H,1H2,2H3/b10-8-
InChIKeyQSCUBLHHQWZOHN-NTMALXAHSA-N
MW260.08 g/mol
LogP2.31
Rot. Bonds1

About N-iodo-N-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine

N-iodo-N-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine (PubChem CID 155000429) has the molecular formula C8H9IN2 and a molecular weight of 260.08 g/mol. Its IUPAC name is N-iodo-N-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine.

Molecular Properties

Compound NameN-iodo-N-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine
PubChem CID155000429
Molecular FormulaC8H9IN2
Molecular Weight260.08 g/mol
Exact Mass259.98
IUPAC NameN-iodo-N-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine
SMILESC=C1C=CC=C/C1=N/N(C)I
InChIInChI=1S/C8H9IN2/c1-7-5-3-4-6-8(7)10-11(2)9/h3-6H,1H2,2H3/b10-8-
InChIKeyQSCUBLHHQWZOHN-NTMALXAHSA-N
XLogP2.31
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.08
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-iodo-N-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine?
The IUPAC name of N-iodo-N-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine (CID 155000429) is N-iodo-N-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine.
What is the SMILES notation for N-iodo-N-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine?
The canonical SMILES for N-iodo-N-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine is C=C1C=CC=C/C1=N/N(C)I.
What is the InChIKey of N-iodo-N-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine?
The InChIKey is QSCUBLHHQWZOHN-NTMALXAHSA-N. The full InChI is InChI=1S/C8H9IN2/c1-7-5-3-4-6-8(7)10-11(2)9/h3-6H,1H2,2H3/b10-8-.
What are the key properties of N-iodo-N-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine?
N-iodo-N-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine has a molecular weight of 260.08 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-iodo-N-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine is sourced from PubChem (CID 155000429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).