4-[(4-iodocyclohexa-1,3-dien-1-yl)iminomethyl]-N,N-dimethylcyclohexa-1,3-dien-1-amine

C15H19IN2 — CID 70867560

IUPAC4-[(4-iodocyclohexa-1,3-dien-1-yl)iminomethyl]-N,N-dimethylcyclohexa-1,3-dien-1-amine
SMILESCN(C)C1=CC=C(/C=N/C2=CC=C(I)CC2)CC1
InChIInChI=1S/C15H19IN2/c1-18(2)15-9-3-12(4-10-15)11-17-14-7-5-13(16)6-8-14/h3,5,7,9,11H,4,6,8,10H2,1-2H3/b17-11+
InChIKeyXREROGPSCYINJL-GZTJUZNOSA-N
MW354.24 g/mol
LogP4.22
Rot. Bonds3

About 4-[(4-iodocyclohexa-1,3-dien-1-yl)iminomethyl]-N,N-dimethylcyclohexa-1,3-dien-1-amine

4-[(4-iodocyclohexa-1,3-dien-1-yl)iminomethyl]-N,N-dimethylcyclohexa-1,3-dien-1-amine (PubChem CID 70867560) has the molecular formula C15H19IN2 and a molecular weight of 354.24 g/mol. Its IUPAC name is 4-[(4-iodocyclohexa-1,3-dien-1-yl)iminomethyl]-N,N-dimethylcyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name4-[(4-iodocyclohexa-1,3-dien-1-yl)iminomethyl]-N,N-dimethylcyclohexa-1,3-dien-1-amine
PubChem CID70867560
Molecular FormulaC15H19IN2
Molecular Weight354.24 g/mol
Exact Mass354.06
IUPAC Name4-[(4-iodocyclohexa-1,3-dien-1-yl)iminomethyl]-N,N-dimethylcyclohexa-1,3-dien-1-amine
SMILESCN(C)C1=CC=C(/C=N/C2=CC=C(I)CC2)CC1
InChIInChI=1S/C15H19IN2/c1-18(2)15-9-3-12(4-10-15)11-17-14-7-5-13(16)6-8-14/h3,5,7,9,11H,4,6,8,10H2,1-2H3/b17-11+
InChIKeyXREROGPSCYINJL-GZTJUZNOSA-N
XLogP4.22
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.24
LogP ≤ 54.22
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-iodocyclohexa-1,3-dien-1-yl)iminomethyl]-N,N-dimethylcyclohexa-1,3-dien-1-amine?
The IUPAC name of 4-[(4-iodocyclohexa-1,3-dien-1-yl)iminomethyl]-N,N-dimethylcyclohexa-1,3-dien-1-amine (CID 70867560) is 4-[(4-iodocyclohexa-1,3-dien-1-yl)iminomethyl]-N,N-dimethylcyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 4-[(4-iodocyclohexa-1,3-dien-1-yl)iminomethyl]-N,N-dimethylcyclohexa-1,3-dien-1-amine?
The canonical SMILES for 4-[(4-iodocyclohexa-1,3-dien-1-yl)iminomethyl]-N,N-dimethylcyclohexa-1,3-dien-1-amine is CN(C)C1=CC=C(/C=N/C2=CC=C(I)CC2)CC1.
What is the InChIKey of 4-[(4-iodocyclohexa-1,3-dien-1-yl)iminomethyl]-N,N-dimethylcyclohexa-1,3-dien-1-amine?
The InChIKey is XREROGPSCYINJL-GZTJUZNOSA-N. The full InChI is InChI=1S/C15H19IN2/c1-18(2)15-9-3-12(4-10-15)11-17-14-7-5-13(16)6-8-14/h3,5,7,9,11H,4,6,8,10H2,1-2H3/b17-11+.
What are the key properties of 4-[(4-iodocyclohexa-1,3-dien-1-yl)iminomethyl]-N,N-dimethylcyclohexa-1,3-dien-1-amine?
4-[(4-iodocyclohexa-1,3-dien-1-yl)iminomethyl]-N,N-dimethylcyclohexa-1,3-dien-1-amine has a molecular weight of 354.24 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-iodocyclohexa-1,3-dien-1-yl)iminomethyl]-N,N-dimethylcyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 70867560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).